Page last updated: 2024-08-01 15:12:56

rimexolone

Description

rimexolone : no description available [CHeBI]

Cross-References

ID Source	ID
PubMed CID	5311412
CHEMBL ID	1200617
SCHEMBL ID	445300
CHEBI ID	135566
MeSH ID	M0061816

Synonyms (80)

Synonym
11 beta-hydroxy-16 alpha,17 alpha,21-trimethylpregna-1,4-diene-3,20-dione
rimexolonum [inn-latin]
org 6216
11beta-hydroxy-16alpha,17,21-trimethyl-1,4-pregnadien-3,20-dion
androsta-1,4-dien-3-one, 11-hydroxy-16,17-dimethyl-17-(1-oxopropyl)-, (11beta,16alpha,17beta)-
11beta-hydroxy-16alpha,17alpha-dimethyl-17-propionylandrosta-1,4-dien-3-one
(11 beta,16 alpha,17 beta)-11-hydroxy-16,17-dimethyl-17-(1-oxopropyl)androsta-1,4-dien-3-one
rimexolona [inn-spanish]
(11beta,16alpha,17beta)-11-hydroxy-16,17-dimethyl-17-(1-oxopropyl)androsta-1,4-dien-3-one
al 02178
MLS002154105 ,
smr001233413
BRD-K31627533-001-03-8
org-6216
al-2178
rimexel
vexol
trimexolone
BSPBIO_001179
BPBIO1_001297
PRESTWICK2_001020
PRESTWICK3_001020
NCGC00179273-01
D05729
rimexolone (usp/inn)
49697-38-3
vexol (tn)
AB00514006
rimexolone
rimexolon
DB00896
PRESTWICK1_001020
PRESTWICK0_001020
SPBIO_003050
CHEBI:135566
CHEMBL1200617
HMS1571K21
(8s,9s,10r,11s,13s,14s,16r,17s)-11-hydroxy-10,13,16,17-tetramethyl-17-propanoyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-one
HMS2098K21
HMS2235B18
o7m2e4264d ,
rimexolone [usan:usp:inn:ban]
rimexolonum
rimexolona
unii-o7m2e4264d
gtpl7099
rimexolone [inn]
rimexolone [mi]
rimexolone [usp-rs]
rimexolone [vandf]
androsta-1,4-dien-3-one, 11-hydroxy-16,17-dimethyl-17-(1-oxopropyl)-, (11.beta.,16,alpha.,17.beta.)-
rimexolone [usan]
rimexolone [orange book]
rimexolone [who-dd]
rimexolone [usp impurity]
rimexolone [usp monograph]
rimexolone [mart.]
CCG-221020
SCHEMBL445300
SR-01000841221-2
sr-01000841221
bdbm50103606
HMS3715K21
Q7334443
EN300-24730386
(1s,2r,3as,3bs,9ar,9bs,10s,11as)-10-hydroxy-1,2,9a,11a-tetramethyl-1-propanoyl-1h,2h,3h,3ah,3bh,4h,5h,7h,9ah,9bh,10h,11h,11ah-cyclopenta[a]phenanthren-7-one
HY-B1754
CS-0013781
(11beta, 16alpha, 17beta)-11-hydroxy-16,17-dimethyl-17-(1-oxopropyl)androstra-1,4-dien-3-one
AKOS040753759
androsta-1,4-dien-3-one, 11-hydroxy-16,17-dimethyl-17-(1-oxopropyl)-, (11beta,16,alpha.,17beta)-
h02ab12
rimexolonum (inn-latin)
s01ba13
rimexolone (usp monograph)
rimexolone (mart.)
rimexolona (inn-spanish)
rimexolone (usp-rs)
rimexolone (usp impurity)
rimexolone (usan:usp:inn:ban)

Drug Classes (1)

Class	Description
20-oxo steroid	An oxo steroid carrying an oxo group at position 20.

Protein Targets (10)

Potency Measurements

Protein	Taxonomy	Measurement	Average (mM)	Bioassay(s)
Chain A, Beta-lactamase	Escherichia coli K-12	Potency	2.8184	AID485294
ATAD5 protein, partial	Homo sapiens (human)	Potency	14.1254	AID504467
TDP1 protein	Homo sapiens (human)	Potency	14.6777	AID686978; AID686979
IDH1	Homo sapiens (human)	Potency	7.3078	AID686970
nuclear factor erythroid 2-related factor 2 isoform 2	Homo sapiens (human)	Potency	0.0174	AID504444; AID720524
importin subunit beta-1 isoform 1	Homo sapiens (human)	Potency	125.8920	AID540263
snurportin-1	Homo sapiens (human)	Potency	125.8920	AID540263
geminin	Homo sapiens (human)	Potency	0.0651	AID624296

Activation Measurements

Protein	Taxonomy	Measurement	Average (mM)	Bioassay(s)
Nuclear receptor subfamily 1 group I member 2	Homo sapiens (human)	EC50	2.1250	AID1215085; AID1215086; AID1215087; AID1215094
Nuclear receptor subfamily 1 group I member 2	Rattus norvegicus (Norway rat)	EC50	0.6800	AID1215090

Bioassays (39)

Assay ID	Title	Year	Journal	Article
AID1159607	Screen for inhibitors of RMI FANCM (MM2) intereaction	2016	Journal of biomolecular screening, Jul, Volume: 21, Issue:6 ISSN: 1552-454X	A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 ISSN: 1552-4922	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1 ISSN: 1557-8127	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 ISSN: 1552-4922	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1 ISSN: 1557-8127	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7 ISSN: 1945-7170	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13ISSN: 1934-9300	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 ISSN: 1552-4922	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1 ISSN: 1557-8127	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7 ISSN: 1945-7170	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression	2022	The Journal of biological chemistry, 08, Volume: 298, Issue:8 ISSN: 1083-351X
AID1745845	Primary qHTS for Inhibitors of ATXN expression	2022	The Journal of biological chemistry, 08, Volume: 298, Issue:8 ISSN: 1083-351X
AID540299	A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis	2010	Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21 ISSN: 1464-3405	Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.
AID588519	A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities	2011	Antiviral research, Sep, Volume: 91, Issue:3 ISSN: 1872-9096	High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
AID1215090	Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase reporter gene based luminescent analysis	2011	Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 39, Issue:1 ISSN: 1521-009X	Identification of clinically used drugs that activate pregnane X receptors.
AID625288	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for jaundice	2011	PLoS computational biology, Dec, Volume: 7, Issue:12 ISSN: 1553-7358	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID625283	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for elevated liver function tests	2011	PLoS computational biology, Dec, Volume: 7, Issue:12 ISSN: 1553-7358	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID625290	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver fatty	2011	PLoS computational biology, Dec, Volume: 7, Issue:12 ISSN: 1553-7358	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID625285	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatic necrosis	2011	PLoS computational biology, Dec, Volume: 7, Issue:12 ISSN: 1553-7358	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID588219	FDA HLAED, gamma-glutamyl transferase (GGT) increase	2004	Current drug discovery technologies, Dec, Volume: 1, Issue:4 ISSN: 1570-1638	Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID625291	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver function tests abnormal	2011	PLoS computational biology, Dec, Volume: 7, Issue:12 ISSN: 1553-7358	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID588216	FDA HLAED, serum glutamic oxaloacetic transaminase (SGOT) increase	2004	Current drug discovery technologies, Dec, Volume: 1, Issue:4 ISSN: 1570-1638	Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID588214	FDA HLAED, liver enzyme composite activity	2004	Current drug discovery technologies, Dec, Volume: 1, Issue:4 ISSN: 1570-1638	Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID588215	FDA HLAED, alkaline phosphatase increase	2004	Current drug discovery technologies, Dec, Volume: 1, Issue:4 ISSN: 1570-1638	Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID588217	FDA HLAED, serum glutamic pyruvic transaminase (SGPT) increase	2004	Current drug discovery technologies, Dec, Volume: 1, Issue:4 ISSN: 1570-1638	Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID1215087	Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induction of CYP3A4 after 24 hrs by luminescent analysis	2011	Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 39, Issue:1 ISSN: 1521-009X	Identification of clinically used drugs that activate pregnane X receptors.
AID1215085	Activation of PXR in human cryopreserved hepatocytes assessed as induction of CYP3A4	2011	Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 39, Issue:1 ISSN: 1521-009X	Identification of clinically used drugs that activate pregnane X receptors.
AID625280	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cholecystitis	2011	PLoS computational biology, Dec, Volume: 7, Issue:12 ISSN: 1553-7358	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID625289	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver disease	2011	PLoS computational biology, Dec, Volume: 7, Issue:12 ISSN: 1553-7358	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID625292	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) combined score	2011	PLoS computational biology, Dec, Volume: 7, Issue:12 ISSN: 1553-7358	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID625281	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cholelithiasis	2011	PLoS computational biology, Dec, Volume: 7, Issue:12 ISSN: 1553-7358	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID588218	FDA HLAED, lactate dehydrogenase (LDH) increase	2004	Current drug discovery technologies, Dec, Volume: 1, Issue:4 ISSN: 1570-1638	Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling.
AID1215096	Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysis relative to rifampicin	2011	Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 39, Issue:1 ISSN: 1521-009X	Identification of clinically used drugs that activate pregnane X receptors.
AID625287	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatomegaly	2011	PLoS computational biology, Dec, Volume: 7, Issue:12 ISSN: 1553-7358	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID625286	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatitis	2011	PLoS computational biology, Dec, Volume: 7, Issue:12 ISSN: 1553-7358	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID1215097	Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase reporter gene based luminescent analysis relative to dexamethasone	2011	Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 39, Issue:1 ISSN: 1521-009X	Identification of clinically used drugs that activate pregnane X receptors.
AID1215086	Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysis	2011	Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 39, Issue:1 ISSN: 1521-009X	Identification of clinically used drugs that activate pregnane X receptors.
AID1215095	Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay relative to SR12813	2011	Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 39, Issue:1 ISSN: 1521-009X	Identification of clinically used drugs that activate pregnane X receptors.
AID625284	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatic failure	2011	PLoS computational biology, Dec, Volume: 7, Issue:12 ISSN: 1553-7358	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID625282	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cirrhosis	2011	PLoS computational biology, Dec, Volume: 7, Issue:12 ISSN: 1553-7358	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID625279	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for bilirubinemia	2011	PLoS computational biology, Dec, Volume: 7, Issue:12 ISSN: 1553-7358	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID1215089	Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induction of CYP3A4 after 24 hrs by luminescent analysis relative to rifampicin	2011	Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 39, Issue:1 ISSN: 1521-009X	Identification of clinically used drugs that activate pregnane X receptors.
AID1215094	Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay	2011	Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 39, Issue:1 ISSN: 1521-009X	Identification of clinically used drugs that activate pregnane X receptors.

Research

Studies (50)

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	4 (8.00)	18.7374
1990's	13 (26.00)	18.2507
2000's	15 (30.00)	29.6817
2010's	16 (32.00)	24.3611
2020's	2 (4.00)	2.80

Study Types

Publication Type	This drug (%)	All Drugs (%)
Trials	15 (28.30%)	5.53%
Reviews	3 (5.66%)	6.00%
Case Studies	5 (9.43%)	4.05%
Observational	0 (0.00%)	0.25%
Other	30 (56.60%)	84.16%

Substance	Classes	Roles	Relationship Strength
corticosterone	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite	low
prednisolone	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic	low
aldosterone	11beta-hydroxy steroid; 18-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; mineralocorticoid; primary alpha-hydroxy ketone; steroid aldehyde	human metabolite; mouse metabolite	low
tetrahydrocortisol	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3alpha-hydroxy steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone		low
prednisone	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug	low
methylprednisolone acetate	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; glucocorticoid; steroid ester; tertiary alpha-hydroxy ketone	anti-inflammatory drug	low
desoxycorticosterone	20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; mineralocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite	low
fluocinolone acetonide	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; glucocorticoid; organic heteropentacyclic compound; primary alpha-hydroxy ketone	anti-inflammatory drug; antipruritic drug	low
medroxyprogesterone acetate	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; corticosteroid; steroid ester	adjuvant; androgen; antineoplastic agent; antioxidant; female contraceptive drug; inhibitor; progestin; synthetic oral contraceptive	low
triamcinolone acetonide	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; cyclic ketal; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug	low
pregnenolone	20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; C21-steroid	human metabolite; mouse metabolite	low
dydrogesterone	20-oxo steroid; 3-oxo-Delta(4) steroid	progestin	low
betamethasone	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent	low
fluorometholone	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone	anti-inflammatory drug	low
cyproterone acetate	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; chlorinated steroid; steroid ester	androgen antagonist; geroprotector; progestin	low
medroxyprogesterone	17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone	contraceptive drug; progestin; synthetic oral contraceptive	low
18-hydroxycorticosterone	11beta-hydroxy steroid; 18-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo steroid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite	low
megestrol acetate	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester	antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive	low
algestone	16alpha-hydroxy steroid; 17-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; C21-steroid; tertiary alpha-hydroxy ketone	progestin	low
flumethasone	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-inflammatory drug	low
betamethasone valerate	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; primary alpha-hydroxy ketone; steroid ester	anti-inflammatory drug	low
megestrol	17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; tertiary alpha-hydroxy ketone	antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive	low
beclomethasone	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic drug; anti-inflammatory drug	low
beclomethasone dipropionate	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; enone; glucocorticoid; propanoate ester; steroid ester	anti-arrhythmia drug; anti-asthmatic drug; anti-inflammatory drug; prodrug	low
betamethasone-17,21-dipropionate	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; propanoate ester; steroid ester	antipsoriatic	low
triamcinolone	11beta-hydroxy steroid; 16alpha-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug	low
fludrocortisone	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; fluorinated steroid; mineralocorticoid	adrenergic agent; anti-inflammatory drug	low
clobetasol propionate	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; fluorinated steroid; glucocorticoid	anti-inflammatory drug	low
promegestone	20-oxo steroid; 3-oxo-Delta(4) steroid	antineoplastic agent; progesterone receptor agonist; progestin	low
18-hydroxydeoxycorticosterone	18-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid		low
trimegestone	20-oxo steroid		low
diflorasone diacetate	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; fluorinated steroid; glucocorticoid	anti-inflammatory drug; antipruritic drug	low
diflorasone	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-inflammatory drug	low
prednisolone phosphate	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; glucocorticoid; steroid phosphate; tertiary alpha-hydroxy ketone	anti-inflammatory agent; antineoplastic agent; glucocorticoid receptor agonist; prodrug	low
flunisolide	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; primary alpha-hydroxy ketone	anti-asthmatic drug; anti-inflammatory drug; immunosuppressive agent	low
nisone	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; steroid ester; tertiary alpha-hydroxy ketone		low
11-hydroxyprogesterone, (11alpha)-isomer	11alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid		low
5beta-pregnane-3,20-dione	20-oxo steroid; 3-oxo-5beta-steroid; C21-steroid	human metabolite; mouse metabolite	low
5-alpha-dihydroprogesterone	20-oxo steroid; 3-oxo-5alpha-steroid; C21-steroid hormone	human metabolite; progestogen	low
16-dehydropregnenolone	20-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; enone		low
demegestone	20-oxo steroid		low
3 alpha,17 alpha-dihydroxy-5 beta-pregnan-20-one	17alpha-hydroxy steroid; 20-oxo steroid; 3alpha-hydroxy steroid; C21-steroid; corticosteroid hormone	human urinary metabolite	low
16-dehydroprogesterone	20-oxo steroid; 3-oxo-Delta(4) steroid; enone		low
cortisol 21-sulfate	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; cortisol ester; steroid sulfate; tertiary alpha-hydroxy ketone	human metabolite	low
osaterone acetate	20-oxo steroid		low
ulipristal acetate	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester; tertiary amino compound	contraceptive drug; progesterone receptor modulator; progestin	low
19-hydroxydeoxycorticosterone	19-hydroxydeoxycorticosterone; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid		low
cortisone	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mouse metabolite	low
fludrocortisone acetate	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; fluorinated steroid; mineralocorticoid; tertiary alpha-hydroxy ketone		low
1-dehydroprogesterone	20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid		low
hydroxydione	20-oxo steroid; 21-hydroxy steroid; 3-oxo-5beta-steroid; primary alpha-hydroxy ketone	human xenobiotic metabolite	low
mometasone furoate	11beta-hydroxy steroid; 2-furoate ester; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; organochlorine compound; steroid ester	anti-allergic agent; anti-inflammatory drug	low
amcinonide	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; corticosteroid; fluorinated steroid; spiroketal	anti-inflammatory drug	low
betamethasone acetate	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; fluorinated steroid; steroid ester; tertiary alpha-hydroxy ketone		low
flumethasone pivalate	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; pivalate ester; tertiary alpha-hydroxy ketone	anti-inflammatory drug; antipruritic drug	low
sch 22219	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; glucocorticoid; propanoate ester; steroid ester	anti-inflammatory drug	low
prednisolone hemisuccinate	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; hemisuccinate; tertiary alpha-hydroxy ketone	anti-inflammatory drug	low
pulmicort	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic acetal; glucocorticoid; primary alpha-hydroxy ketone	anti-inflammatory drug; bronchodilator agent; drug allergen	low
clocortolone pivalate	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; fluorinated steroid; glucocorticoid; pivalate ester	anti-inflammatory drug; antipruritic drug	low
cyproterone	17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(4) steroid; chlorinated steroid; tertiary alpha-hydroxy ketone	androgen antagonist	low
progesterone 11-hemisuccinate, (11alpha)-isomer	20-oxo steroid; 3-oxo-Delta(4) steroid; dicarboxylic acid monoester; hemisuccinate; steroid ester		low
clobetasol	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone	anti-inflammatory drug; SMO receptor agonist	low
desonide	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; corticosteroid; cyclic ketal; primary alpha-hydroxy ketone	anti-inflammatory drug	low
desoximetasone	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone	anti-inflammatory drug; antipruritic drug	low
11-dehydrocorticosterone	11-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; corticosteroid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite	low
6 beta-hydroxycortisol	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; 6beta-hydroxy steroid; C21-steroid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	human metabolite; mammalian metabolite; probe	low
ulipristal	20-oxo steroid		low

Substance	Studies	Classes	Roles	First Year	Last Year	Average Age	Relationship Strength	2000's	2010's
bupropion	1	aromatic ketone; monochlorobenzenes; secondary amino compound	antidepressant; environmental contaminant; xenobiotic	2004	2004	20.0	low	1	0
aminocaproic acid	1	amino acid zwitterion; epsilon-amino acid; omega-amino fatty acid	antifibrinolytic drug; hematologic agent; metabolite	2004	2004	20.0	low	1	0
phenytoin	1	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent	2004	2004	20.0	low	1	0
tacrine	1	acridines; aromatic amine	EC 3.1.1.7 (acetylcholinesterase) inhibitor	2004	2004	20.0	low	1	0
aa 861	1	1,4-benzoquinones; acetylenic compound; primary alcohol	EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor	2011	2011	13.0	low	0	1
acebutolol	1	aromatic amide; ethanolamines; ether; monocarboxylic acid amide; propanolamine; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympathomimetic agent	2004	2004	20.0	low	1	0
acetaminophen	1	acetamides; phenols	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic	2004	2004	20.0	low	1	0
acetohydroxamic acid	1	acetohydroxamic acids; carbohydroximic acid	algal metabolite; EC 3.5.1.5 (urease) inhibitor	2004	2004	20.0	low	1	0
albuterol	1	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic	2004	2004	20.0	low	1	0
alendronate	1	1,1-bis(phosphonic acid); primary amino compound	bone density conservation agent; EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor	2004	2004	20.0	low	1	0
alprazolam	1	organochlorine compound; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA agonist; muscle relaxant; sedative; xenobiotic	2004	2004	20.0	low	1	0
altretamine	1	triamino-1,3,5-triazine		2004	2004	20.0	low	1	0
amantadine	1	adamantanes; primary aliphatic amine	analgesic; antiparkinson drug; antiviral drug; dopaminergic agent; NMDA receptor antagonist; non-narcotic analgesic	2004	2004	20.0	low	1	0
amifostine anhydrous	1	diamine; organic thiophosphate	antioxidant; prodrug; radiation protective agent	2004	2004	20.0	low	1	0
aminoglutethimide	1	dicarboximide; piperidones; substituted aniline	adrenergic agent; anticonvulsant; antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor	2004	2004	20.0	low	1	0
theophylline	1	dimethylxanthine	adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent	2004	2004	20.0	low	1	0
amiodarone	1	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug	2004	2004	20.0	low	1	0
amitriptyline	1	carbotricyclic compound; tertiary amine	adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic	2004	2004	20.0	low	1	0
amlexanox	1	monocarboxylic acid; pyridochromene	anti-allergic agent; anti-ulcer drug; non-steroidal anti-inflammatory drug	2004	2004	20.0	low	1	0
amlodipine	1	dihydropyridine; ethyl ester; methyl ester; monochlorobenzenes; primary amino compound	antihypertensive agent; calcium channel blocker; vasodilator agent	2004	2004	20.0	low	1	0
amoxapine	1	dibenzooxazepine	adrenergic uptake inhibitor; antidepressant; dopaminergic antagonist; geroprotector; serotonin uptake inhibitor	2004	2004	20.0	low	1	0
anastrozole	1	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor	2004	2004	20.0	low	1	0
apraclonidine	1	dichlorobenzene; guanidines; imidazolines	alpha-adrenergic agonist; antiglaucoma drug; beta-adrenergic agonist; diagnostic agent; ophthalmology drug	2004	2004	20.0	low	1	0
aspirin	1	benzoic acids; phenyl acetates; salicylates	anticoagulant; antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; EC 1.1.1.188 (prostaglandin-F synthase) inhibitor; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; plant activator; platelet aggregation inhibitor; prostaglandin antagonist; teratogenic agent	2004	2004	20.0	low	1	0
astemizole	1	benzimidazoles; piperidines	anti-allergic agent; anticoronaviral agent; H1-receptor antagonist	2004	2004	20.0	low	1	0
atenolol	1	ethanolamines; monocarboxylic acid amide; propanolamine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; sympatholytic agent; xenobiotic	2004	2004	20.0	low	1	0
azathioprine	1	aryl sulfide; C-nitro compound; imidazoles; thiopurine	antimetabolite; antineoplastic agent; carcinogenic agent; DNA synthesis inhibitor; hepatotoxic agent; immunosuppressive agent; prodrug	2004	2004	20.0	low	1	0
azelaic acid	1	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite	2004	2004	20.0	low	1	0
azelastine	1	monochlorobenzenes; phthalazines; tertiary amino compound	anti-allergic agent; anti-asthmatic drug; bronchodilator agent; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; H1-receptor antagonist; platelet aggregation inhibitor	2004	2004	20.0	low	1	0
baclofen	1	amino acid zwitterion; gamma-amino acid; monocarboxylic acid; monochlorobenzenes; primary amino compound	central nervous system depressant; GABA agonist; muscle relaxant	2004	2004	20.0	low	1	0
bepridil	1	pyrrolidines; tertiary amine	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent	2004	2004	20.0	low	1	0
betaxolol	1	propanolamine	antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent	2004	2004	20.0	low	1	0
bicalutamide	1	(trifluoromethyl)benzenes; monocarboxylic acid amide; monofluorobenzenes; nitrile; sulfone; tertiary alcohol		2004	2004	20.0	low	1	0
bisoprolol	1	secondary alcohol; secondary amine	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent	2004	2004	20.0	low	1	0
bithionol	1	aryl sulfide; bridged diphenyl antifungal drug; bridged diphenyl fungicide; dichlorobenzene; organochlorine pesticide; polyphenol	antifungal agrochemical; antiplatyhelmintic drug	2011	2011	13.0	low	0	1
brimonidine	1	imidazoles; quinoxaline derivative; secondary amine	adrenergic agonist; alpha-adrenergic agonist; antihypertensive agent	2004	2004	20.0	low	1	0
bumetanide	1	amino acid; benzoic acids; sulfonamide	diuretic; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor	2004	2004	20.0	low	1	0
buspirone	1	azaspiro compound; N-alkylpiperazine; N-arylpiperazine; organic heteropolycyclic compound; piperidones; pyrimidines	anxiolytic drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; sedative; serotonergic agonist	2004	2004	20.0	low	1	0
busulfan	1	methanesulfonate ester	alkylating agent; antineoplastic agent; carcinogenic agent; insect sterilant; teratogenic agent	2004	2004	20.0	low	1	0
butenafine	1	naphthalenes; tertiary amine	antifungal drug; EC 1.14.13.132 (squalene monooxygenase) inhibitor	2004	2004	20.0	low	1	0
verapamil	1	aromatic ether; nitrile; polyether; tertiary amino compound		2004	2004	20.0	low	1	0
carbamazepine	1	dibenzoazepine; ureas	analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic	2004	2004	20.0	low	1	0
carmustine	1	N-nitrosoureas; organochlorine compound	alkylating agent; antineoplastic agent	2004	2004	20.0	low	1	0
carteolol	1	quinolone; secondary alcohol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent	2004	2004	20.0	low	1	0
carvedilol	1	carbazoles; secondary alcohol; secondary amino compound	alpha-adrenergic antagonist; antihypertensive agent; beta-adrenergic antagonist; cardiovascular drug; vasodilator agent	2004	2004	20.0	low	1	0
cetirizine	1	ether; monocarboxylic acid; monochlorobenzenes; piperazines	anti-allergic agent; environmental contaminant; H1-receptor antagonist; xenobiotic	2004	2004	20.0	low	1	0
chlormezanone	1	1,3-thiazine; lactam; monochlorobenzenes; sulfone	antipsychotic agent; anxiolytic drug; muscle relaxant	2004	2004	20.0	low	1	0
chloroxine	1	monohydroxyquinoline; organochlorine compound	antibacterial agent; antifungal drug; antiseborrheic	2011	2011	13.0	low	0	1
ciclopirox	1	cyclic hydroxamic acid; hydroxypyridone antifungal drug; pyridone	antibacterial agent; antiseborrheic	2004	2004	20.0	low	1	0
ciglitazone	1	aromatic ether; thiazolidinone	antineoplastic agent; insulin-sensitizing drug	2011	2011	13.0	low	0	1
cinoxacin	1	cinnolines; oxacycle; oxo carboxylic acid	antibacterial drug; antiinfective agent	2004	2004	20.0	low	1	0
ciprofloxacin	1	aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion	antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic	2004	2004	20.0	low	1	0
cisapride	1	benzamides		2004	2004	20.0	low	1	0
clofazimine	1	monochlorobenzenes; phenazines	dye; leprostatic drug; non-steroidal anti-inflammatory drug	2004	2004	20.0	low	1	0
clomipramine	1	dibenzoazepine	anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor	2004	2004	20.0	low	1	0
clonidine	1	clonidine; imidazoline		2004	2004	20.0	low	1	0
chlorazepate	1	1,4-benzodiazepinone	anticonvulsant; anxiolytic drug; GABA modulator; prodrug	2004	2004	20.0	medium	1	0
cyclobenzaprine	1	carbotricyclic compound	antidepressant; muscle relaxant; tranquilizing drug	2004	2004	20.0	low	1	0
diazepam	1	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic	2004	2004	20.0	low	1	0
diclofenac	1	amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic	2004	2004	20.0	low	1	0
diflunisal	1	monohydroxybenzoic acid; organofluorine compound	non-narcotic analgesic; non-steroidal anti-inflammatory drug	2004	2004	20.0	low	1	0
dimercaprol	1	dithiol; primary alcohol	chelator	2011	2011	13.0	low	0	1
dipivefrin	1	ethanolamines; pivalate ester	adrenergic agonist; antiglaucoma drug; ophthalmology drug; prodrug; sympathomimetic agent	2004	2004	20.0	low	1	0
disopyramide	1	monocarboxylic acid amide; pyridines; tertiary amino compound	anti-arrhythmia drug	2004	2004	20.0	low	1	0
disulfiram	1	organic disulfide; organosulfur acaricide	angiogenesis inhibitor; antineoplastic agent; apoptosis inducer; EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor; EC 3.1.1.1 (carboxylesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 5.99.1.2 (DNA topoisomerase) inhibitor; ferroptosis inducer; fungicide; NF-kappaB inhibitor	2004	2004	20.0	low	1	0
valproic acid	1	branched-chain fatty acid; branched-chain saturated fatty acid	anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent	2004	2004	20.0	low	1	0
doxazosin	1	aromatic amine; benzodioxine; monocarboxylic acid amide; N-acylpiperazine; N-arylpiperazine; quinazolines	alpha-adrenergic antagonist; antihyperplasia drug; antihypertensive agent; antineoplastic agent; vasodilator agent	2004	2004	20.0	low	1	0
doxepin	1	dibenzooxepine; tertiary amino compound	antidepressant	2004	2004	20.0	low	1	0
droperidol	1	aromatic ketone; benzimidazoles; organofluorine compound	anaesthesia adjuvant; antiemetic; dopaminergic antagonist; first generation antipsychotic	2004	2004	20.0	low	1	0
econazole	1	dichlorobenzene; ether; imidazoles; monochlorobenzenes		2004	2004	20.0	low	1	0
enflurane	1	ether; organochlorine compound; organofluorine compound	anaesthetic	2004	2004	20.0	low	1	0
enoxacin	1	1,8-naphthyridine derivative; amino acid; fluoroquinolone antibiotic; monocarboxylic acid; N-arylpiperazine; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor	2004	2004	20.0	low	1	0
estazolam	1	triazoles; triazolobenzodiazepine	anticonvulsant; anxiolytic drug; GABA modulator	2004	2004	20.0	low	1	0
etidronate	1	1,1-bis(phosphonic acid)	antineoplastic agent; bone density conservation agent; chelator	2004	2004	20.0	low	1	0
etodolac	1	monocarboxylic acid; organic heterotricyclic compound	antipyretic; cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug	2004	2004	20.0	low	1	0
brl 42810	1	2-aminopurines; acetate ester	antiviral drug; prodrug	2004	2004	20.0	low	1	0
famprofazone	1	pyrazoles; ring assembly		2011	2011	13.0	low	0	1
felbamate	1	carbamate ester	anticonvulsant; neuroprotective agent	2004	2004	20.0	low	1	0
felodipine	2	dichlorobenzene; dihydropyridine; ethyl ester; methyl ester	anti-arrhythmia drug; antihypertensive agent; calcium channel blocker; vasodilator agent	2004	2011	16.5	low	1	1
fenbendazole	1	aryl sulfide; benzimidazoles; carbamate ester	antinematodal drug	2011	2011	13.0	low	0	1
fenfluramine	1	(trifluoromethyl)benzenes; secondary amino compound	appetite depressant; serotonergic agonist; serotonin uptake inhibitor	2004	2004	20.0	low	1	0
fentanyl	2	anilide; monocarboxylic acid amide; piperidines	adjuvant; anaesthesia adjuvant; anaesthetic; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic	2004	2011	16.5	low	1	1
fexofenadine	1	piperidines; tertiary amine	anti-allergic agent; H1-receptor antagonist	2004	2004	20.0	low	1	0
flecainide	1	aromatic ether; monocarboxylic acid amide; organofluorine compound; piperidines	anti-arrhythmia drug	2004	2004	20.0	low	1	0
fluconazole	1	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic	2004	2004	20.0	low	1	0
flucytosine	1	aminopyrimidine; nucleoside analogue; organofluorine compound; pyrimidine antifungal drug; pyrimidone	prodrug	2004	2004	20.0	low	1	0
fluphenazine	1	N-alkylpiperazine; organofluorine compound; phenothiazines	anticoronaviral agent; dopaminergic antagonist; phenothiazine antipsychotic drug	2004	2004	20.0	low	1	0
flumazenil	1	ethyl ester; imidazobenzodiazepine; organofluorine compound	antidote to benzodiazepine poisoning; GABA antagonist	2004	2004	20.0	low	1	0
fluorouracil	1	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic	2004	2004	20.0	low	1	0
fluoxetine	1	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound		2004	2004	20.0	low	1	0
fluphenazine depot	1	decanoate ester; N-alkylpiperazine; organofluorine compound; phenothiazines	dopaminergic antagonist; phenothiazine antipsychotic drug; prodrug	2004	2004	20.0	low	1	0
fluphenazine enanthate	1	phenothiazines		2004	2004	20.0	low	1	0
flurbiprofen	1	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug	2004	2004	20.0	low	1	0
flutamide	1	(trifluoromethyl)benzenes; monocarboxylic acid amide	androgen antagonist; antineoplastic agent	2004	2004	20.0	low	1	0
foscarnet	1	carboxylic acid; one-carbon compound; phosphonic acids	antiviral drug; geroprotector; HIV-1 reverse transcriptase inhibitor; sodium-dependent Pi-transporter inhibitor	2004	2004	20.0	low	1	0
furosemide	1	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic	2004	2004	20.0	low	1	0
gabapentin	1	gamma-amino acid	anticonvulsant; calcium channel blocker; environmental contaminant; xenobiotic	2004	2004	20.0	low	1	0
gemfibrozil	1	aromatic ether	antilipemic drug	2004	2004	20.0	low	1	0
glimepiride	1	sulfonamide		2004	2004	20.0	low	1	0
glipizide	1	aromatic amide; monocarboxylic acid amide; N-sulfonylurea; pyrazines	EC 2.7.1.33 (pantothenate kinase) inhibitor; hypoglycemic agent; insulin secretagogue	2004	2004	20.0	low	1	0
glyburide	1	monochlorobenzenes; N-sulfonylurea	anti-arrhythmia drug; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor; hypoglycemic agent	2004	2004	20.0	low	1	0
granisetron	1	aromatic amide; indazoles		2004	2004	20.0	low	1	0
guanfacine	1	acetamides		2004	2004	20.0	low	1	0
haloperidol	1	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist	2004	2004	20.0	low	1	0
haloprogin	1	aromatic ether		2011	2011	13.0	low	0	1
halothane	1	haloalkane; organobromine compound; organochlorine compound; organofluorine compound	inhalation anaesthetic	2004	2004	20.0	low	1	0
hydrochlorothiazide	1	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic	2004	2004	20.0	low	1	0
hydroxyurea	1	one-carbon compound; ureas	antimetabolite; antimitotic; antineoplastic agent; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; genotoxin; immunomodulator; radical scavenger; teratogenic agent	2004	2004	20.0	low	1	0
hydroxyzine	1	hydroxyether; monochlorobenzenes; N-alkylpiperazine	anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist	2004	2004	20.0	low	1	0
ibuprofen	1	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic	2004	2004	20.0	low	1	0
phenelzine	1	primary amine		2004	2004	20.0	low	1	0
ifosfamide	1	ifosfamides	alkylating agent; antineoplastic agent; environmental contaminant; immunosuppressive agent; xenobiotic	2004	2004	20.0	low	1	0
amrinone	1	bipyridines	EC 3.1.4.* (phosphoric diester hydrolase) inhibitor	2004	2004	20.0	low	1	0
indapamide	1	indoles; organochlorine compound; sulfonamide	antihypertensive agent; diuretic	2004	2004	20.0	low	1	0
indomethacin	1	aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole	analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic	2004	2004	20.0	low	1	0
iodixanol	1	organoiodine compound	radioopaque medium	2004	2004	20.0	low	1	0
iohexol	1	benzenedicarboxamide; organoiodine compound	environmental contaminant; radioopaque medium; xenobiotic	2004	2004	20.0	low	1	0
iopromide	1	dicarboxylic acid diamide; organoiodine compound	environmental contaminant; nephrotoxic agent; radioopaque medium; xenobiotic	2004	2004	20.0	low	1	0
ioversol	1	amidobenzoic acid		2004	2004	20.0	low	1	0
isoflurane	1	organofluorine compound	inhalation anaesthetic	2004	2004	20.0	low	1	0
isoniazid	1	carbohydrazide	antitubercular agent; drug allergen	2004	2004	20.0	low	1	0
isradipine	1	benzoxadiazole; dihydropyridine; isopropyl ester; methyl ester		2004	2004	20.0	low	1	0
itraconazole	1	piperazines		2004	2004	20.0	low	1	0
ketoconazole	1	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine		2004	2004	20.0	low	1	0
ketoprofen	1	benzophenones; oxo monocarboxylic acid	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic	2004	2004	20.0	low	1	0
ketorolac	1	amino acid; aromatic ketone; monocarboxylic acid; pyrrolizines; racemate	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; non-steroidal anti-inflammatory drug	2004	2004	20.0	low	1	0
labetalol	1	benzamides; benzenes; phenols; primary carboxamide; salicylamides; secondary alcohol; secondary amino compound		2004	2004	20.0	low	1	0
lamotrigine	1	1,2,4-triazines; dichlorobenzene; primary arylamine	anticonvulsant; antidepressant; antimanic drug; calcium channel blocker; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; excitatory amino acid antagonist; geroprotector; non-narcotic analgesic; xenobiotic	2004	2004	20.0	low	1	0
lansoprazole	1	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor	2004	2004	20.0	low	1	0
lomefloxacin	1	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antimicrobial agent; antitubercular agent; photosensitizing agent	2004	2004	20.0	low	1	0
loratadine	2	benzocycloheptapyridine; ethyl ester; N-acylpiperidine; organochlorine compound; tertiary carboxamide	anti-allergic agent; cholinergic antagonist; geroprotector; H1-receptor antagonist	2004	2011	16.5	low	1	1
losartan	1	biphenylyltetrazole; imidazoles	angiotensin receptor antagonist; anti-arrhythmia drug; antihypertensive agent; endothelin receptor antagonist	2004	2004	20.0	low	1	0
loxapine	1	dibenzooxazepine	antipsychotic agent; dopaminergic antagonist	2004	2004	20.0	low	1	0
maprotiline	1	anthracenes		2004	2004	20.0	low	1	0
mebendazole	1	aromatic ketone; benzimidazoles; carbamate ester	antinematodal drug; microtubule-destabilising agent; tubulin modulator	2004	2004	20.0	low	1	0
meclofenamic acid	1	aminobenzoic acid; organochlorine compound; secondary amino compound	analgesic; anticonvulsant; antineoplastic agent; antipyretic; antirheumatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug	2004	2004	20.0	low	1	0
mefenamic acid	1	aminobenzoic acid; secondary amino compound	analgesic; antipyretic; antirheumatic drug; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic	2004	2004	20.0	low	1	0
mefloquine hydrochloride	1	organofluorine compound; piperidines; quinolines; secondary alcohol		2004	2004	20.0	low	1	0
mesalamine	1	amino acid; aromatic amine; monocarboxylic acid; monohydroxybenzoic acid; phenols	non-steroidal anti-inflammatory drug	2004	2004	20.0	low	1	0
metformin	1	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic	2004	2004	20.0	low	1	0
metoclopramide	1	benzamides; monochlorobenzenes; substituted aniline; tertiary amino compound	antiemetic; dopaminergic antagonist; environmental contaminant; gastrointestinal drug; xenobiotic	2004	2004	20.0	low	1	0
metoprolol	1	aromatic ether; propanolamine; secondary alcohol; secondary amino compound	antihypertensive agent; beta-adrenergic antagonist; environmental contaminant; geroprotector; xenobiotic	2004	2004	20.0	low	1	0
metronidazole	1	C-nitro compound; imidazoles; primary alcohol	antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic	2004	2004	20.0	low	1	0
mexiletine	1	aromatic ether; primary amino compound	anti-arrhythmia drug	2004	2004	20.0	low	1	0
midazolam	1	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative	2004	2004	20.0	low	1	0
midodrine	1	amino acid amide; aromatic ether; secondary alcohol	alpha-adrenergic agonist; prodrug; sympathomimetic agent; vasoconstrictor agent	2004	2004	20.0	low	1	0
minoxidil	1	dialkylarylamine; tertiary amino compound		2004	2004	20.0	low	1	0
mirtazapine	1	benzazepine; tetracyclic antidepressant	alpha-adrenergic antagonist; anxiolytic drug; H1-receptor antagonist; histamine antagonist; oneirogen; serotonergic antagonist	2004	2004	20.0	low	1	0
mitoxantrone	1	dihydroxyanthraquinone	analgesic; antineoplastic agent	2004	2004	20.0	low	1	0
nabumetone	1	methoxynaphthalene; methyl ketone	cyclooxygenase 2 inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug	2004	2004	20.0	low	1	0
nefazodone	1	aromatic ether; monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazoles	alpha-adrenergic antagonist; analgesic; antidepressant; serotonergic antagonist; serotonin uptake inhibitor	2004	2004	20.0	low	1	0
nevirapine	1	cyclopropanes; dipyridodiazepine	antiviral drug; HIV-1 reverse transcriptase inhibitor	2004	2004	20.0	low	1	0
nicardipine	1	benzenes; C-nitro compound; diester; dihydropyridine; methyl ester; tertiary amino compound		2004	2004	20.0	low	1	0
nifedipine	1	C-nitro compound; dihydropyridine; methyl ester	calcium channel blocker; human metabolite; tocolytic agent; vasodilator agent	2004	2004	20.0	low	1	0
nilutamide	1	(trifluoromethyl)benzenes; C-nitro compound; imidazolidinone	androgen antagonist; antineoplastic agent	2004	2004	20.0	low	1	0
nilvadipine	1	dihydropyridine; isopropyl ester; methyl ester; nitrile		2011	2011	13.0	low	0	1
nimodipine	1	2-methoxyethyl ester; C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; isopropyl ester	antihypertensive agent; calcium channel blocker; cardiovascular drug; vasodilator agent	2004	2004	20.0	low	1	0
nisoldipine	2	C-nitro compound; dicarboxylic acids and O-substituted derivatives; diester; dihydropyridine; methyl ester		2004	2011	16.5	low	1	1
nizatidine	1	1,3-thiazoles; C-nitro compound; carboxamidine; organic sulfide; tertiary amino compound	anti-ulcer drug; cholinergic drug; H2-receptor antagonist	2004	2004	20.0	low	1	0
masoprocol	1	catechols; lignan; tetrol	antioxidant; ferroptosis inhibitor; geroprotector; plant metabolite	2004	2004	20.0	low	1	0
norfloxacin	1	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic	2004	2004	20.0	low	1	0
nortriptyline	1	organic tricyclic compound; secondary amine	adrenergic uptake inhibitor; analgesic; antidepressant; antineoplastic agent; apoptosis inducer; drug metabolite	2004	2004	20.0	low	1	0
ofloxacin	1	3-oxo monocarboxylic acid; N-arylpiperazine; N-methylpiperazine; organofluorine compound; oxazinoquinoline		2004	2004	20.0	low	1	0
omeprazole	1	aromatic ether; benzimidazoles; pyridines; sulfoxide		2004	2004	20.0	low	1	0
ondansetron	1	carbazoles		2004	2004	20.0	low	1	0
oxaprozin	1	1,3-oxazoles; monocarboxylic acid	analgesic; non-steroidal anti-inflammatory drug	2004	2004	20.0	low	1	0
oxatomide	1	benzimidazoles; diarylmethane; N-alkylpiperazine	anti-allergic agent; anti-inflammatory agent; geroprotector; H1-receptor antagonist; serotonergic antagonist	2011	2011	13.0	low	0	1
pamidronate	1	phosphonoacetic acid		2004	2004	20.0	low	1	0
pemoline	1	1,3-oxazoles	central nervous system stimulant	2004	2004	20.0	low	1	0
pentamidine	1	aromatic ether; carboxamidine; diether	anti-inflammatory agent; antifungal agent; calmodulin antagonist; chemokine receptor 5 antagonist; EC 2.3.1.48 (histone acetyltransferase) inhibitor; NMDA receptor antagonist; S100 calcium-binding protein B inhibitor; trypanocidal drug; xenobiotic	2004	2004	20.0	low	1	0
pentoxifylline	1	oxopurine		2004	2004	20.0	low	1	0
perphenazine	1	N-(2-hydroxyethyl)piperazine; N-alkylpiperazine; organochlorine compound; phenothiazines	antiemetic; dopaminergic antagonist; phenothiazine antipsychotic drug	2004	2004	20.0	low	1	0
pindolol	1	indoles; secondary amine	antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist; serotonergic antagonist; vasodilator agent	2004	2004	20.0	low	1	0
pirbuterol	1	pyridines		2004	2004	20.0	low	1	0
prazepam	1	benzodiazepine		2004	2004	20.0	low	1	0
praziquantel	1	isoquinolines		2004	2004	20.0	low	1	0
prazosin	1	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor	2004	2004	20.0	low	1	0
primidone	1	pyrimidone	anticonvulsant; environmental contaminant; xenobiotic	2004	2004	20.0	low	1	0
probenecid	1	benzoic acids; sulfonamide	uricosuric drug	2004	2004	20.0	low	1	0
procainamide	1	benzamides	anti-arrhythmia drug; platelet aggregation inhibitor; sodium channel blocker	2004	2004	20.0	low	1	0
procarbazine	1	benzamides; hydrazines	antineoplastic agent	2004	2004	20.0	low	1	0
propafenone	1	aromatic ketone; secondary alcohol; secondary amino compound	anti-arrhythmia drug	2004	2004	20.0	low	1	0
propofol	1	phenols	anticonvulsant; antiemetic; intravenous anaesthetic; radical scavenger; sedative	2004	2004	20.0	low	1	0
sch 16134	1	benzodiazepine		2004	2004	20.0	low	1	0
ranitidine	1	aralkylamine		2004	2004	20.0	low	1	0
riluzole	1	benzothiazoles		2004	2004	20.0	low	1	0
rimantadine	1	alkylamine		2004	2004	20.0	low	1	0
risperidone	1	1,2-benzoxazoles; heteroarylpiperidine; organofluorine compound; pyridopyrimidine	alpha-adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; psychotropic drug; second generation antipsychotic; serotonergic antagonist	2004	2004	20.0	low	1	0
salmeterol xinafoate	1	ether; phenols; primary alcohol; secondary alcohol; secondary amino compound		2004	2004	20.0	low	1	0
sevoflurane	1	ether; organofluorine compound	central nervous system depressant; inhalation anaesthetic; platelet aggregation inhibitor	2004	2004	20.0	low	1	0
sulfadiazine	1	pyrimidines; substituted aniline; sulfonamide antibiotic; sulfonamide	antiinfective agent; antimicrobial agent; antiprotozoal drug; coccidiostat; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; xenobiotic	2004	2004	20.0	low	1	0
sotalol	1	ethanolamines; secondary alcohol; secondary amino compound; sulfonamide	anti-arrhythmia drug; beta-adrenergic antagonist; environmental contaminant; xenobiotic	2004	2004	20.0	low	1	0
spiroxatrine	1	imidazolidines		2011	2011	13.0	low	0	1
vorinostat	1	dicarboxylic acid diamide; hydroxamic acid	antineoplastic agent; apoptosis inducer; EC 3.5.1.98 (histone deacetylase) inhibitor	2011	2011	13.0	low	0	1
sulconazole	1	dichlorobenzene; imidazoles; monochlorobenzenes; organic sulfide		2004	2004	20.0	low	1	0
sulfasalazine	1			2004	2004	20.0	low	1	0
sumatriptan	1	sulfonamide; tryptamines	serotonergic agonist; vasoconstrictor agent	2004	2004	20.0	low	1	0
suprofen	1	aromatic ketone; monocarboxylic acid; thiophenes	antirheumatic drug; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug	2004	2004	20.0	low	1	0
suramin	1	naphthalenesulfonic acid; phenylureas; secondary carboxamide	angiogenesis inhibitor; antinematodal drug; antineoplastic agent; apoptosis inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; GABA antagonist; GABA-gated chloride channel antagonist; purinergic receptor P2 antagonist; ryanodine receptor agonist; trypanocidal drug	2011	2011	13.0	low	0	1
tazarotene	1	acetylenic compound; ethyl ester; pyridines; retinoid; thiochromane	keratolytic drug; prodrug; teratogenic agent	2004	2004	20.0	low	1	0
temazepam	1	benzodiazepine		2004	2004	20.0	low	1	0
terazosin	1	furans; piperazines; primary amino compound; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; antineoplastic agent	2004	2004	20.0	low	1	0
terfenadine	1	diarylmethane		2004	2004	20.0	low	1	0
thioridazine	1	phenothiazines; piperidines	alpha-adrenergic antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist	2004	2004	20.0	low	1	0
thiotepa	1	aziridines		2004	2004	20.0	low	1	0
ticlopidine	1	monochlorobenzenes; thienopyridine	anticoagulant; fibrin modulating drug; hematologic agent; P2Y12 receptor antagonist; platelet aggregation inhibitor	2004	2004	20.0	low	1	0
tioconazole	1	dichlorobenzene; ether; imidazoles; thiophenes		2004	2004	20.0	low	1	0
tiopronin	1	N-acyl-amino acid		2004	2004	20.0	low	1	0
tizanidine	1	benzothiadiazole; imidazoles	alpha-adrenergic agonist; muscle relaxant	2004	2004	20.0	low	1	0
ultram	1	aromatic ether; tertiary alcohol; tertiary amino compound		2004	2004	20.0	low	1	0
trazodone	1	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine	adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor	2004	2004	20.0	low	1	0
triazolam	1	triazolobenzodiazepine	sedative	2004	2004	20.0	low	1	0
trientine	1	polyazaalkane; tetramine	copper chelator	2004	2004	20.0	low	1	0
trifluoperazine	1	N-alkylpiperazine; N-methylpiperazine; organofluorine compound; phenothiazines	antiemetic; calmodulin antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; phenothiazine antipsychotic drug	2004	2004	20.0	low	1	0
trimethadione	1	oxazolidinone	anticonvulsant; geroprotector	2004	2004	20.0	low	1	0
trimetrexate	1			2004	2004	20.0	low	1	0
trimipramine	1	dibenzoazepine; tertiary amino compound	antidepressant; environmental contaminant; xenobiotic	2004	2004	20.0	low	1	0
troglitazone	1	chromanes; thiazolidinone	anticoagulant; anticonvulsant; antineoplastic agent; antioxidant; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; hypoglycemic agent; platelet aggregation inhibitor; vasodilator agent	2011	2011	13.0	low	0	1
venlafaxine	1	cyclohexanols; monomethoxybenzene; tertiary alcohol; tertiary amino compound	adrenergic uptake inhibitor; analgesic; antidepressant; dopamine uptake inhibitor; environmental contaminant; serotonin uptake inhibitor; xenobiotic	2004	2004	20.0	low	1	0
ici 204,219	2	carbamate ester; indoles; N-sulfonylcarboxamide	anti-asthmatic agent; leukotriene antagonist	2004	2011	16.5	low	1	1
zolpidem	1	imidazopyridine	central nervous system depressant; GABA agonist; sedative	2004	2004	20.0	low	1	0
zomepirac	1	aromatic ketone; monocarboxylic acid; monochlorobenzenes; pyrroles	cardiovascular drug; non-steroidal anti-inflammatory drug	2004	2004	20.0	low	1	0
cephaloridine	1	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug	2011	2011	13.0	low	0	1
floxuridine	1	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; radiosensitizing agent	2004	2004	20.0	low	1	0
thyroxine	1	2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine	antithyroid drug; human metabolite; mouse metabolite; thyroid hormone	2011	2011	13.0	low	0	1
spironolactone	1	3-oxo-Delta(4) steroid; oxaspiro compound; steroid lactone; thioester	aldosterone antagonist; antihypertensive agent; diuretic; environmental contaminant; xenobiotic	2004	2004	20.0	low	1	0
penicillamine	1	non-proteinogenic alpha-amino acid; penicillamine	antirheumatic drug; chelator; copper chelator; drug allergen	2004	2004	20.0	low	1	0
prednisone	1	11-oxo steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; immunosuppressive agent; prodrug	2004	2004	20.0	low	1	0
pilocarpine	1	pilocarpine	antiglaucoma drug	2004	2004	20.0	low	1	0
vincristine	1	acetate ester; formamides; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; tertiary alcohol; tertiary amino compound; vinca alkaloid	antineoplastic agent; drug; microtubule-destabilising agent; plant metabolite; tubulin modulator	2004	2004	20.0	low	1	0
testosterone propionate	1	steroid ester		2004	2004	20.0	low	1	0
bretylium tosylate	1	organosulfonate salt; quaternary ammonium salt	adrenergic antagonist; anti-arrhythmia drug; antihypertensive agent	2004	2004	20.0	low	1	0
berlition	1	dithiolanes; heterocyclic fatty acid; lipoic acid; thia fatty acid	cofactor; nutraceutical; prosthetic group	2011	2011	13.0	low	0	1
cytarabine	1	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent	2004	2004	20.0	low	1	0
trifluridine	1	nucleoside analogue; organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; EC 2.1.1.45 (thymidylate synthase) inhibitor	2004	2004	20.0	low	1	0
medroxyprogesterone acetate	1	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; corticosteroid; steroid ester	adjuvant; androgen; antineoplastic agent; antioxidant; female contraceptive drug; inhibitor; progestin; synthetic oral contraceptive	2004	2004	20.0	low	1	0
mestranol	1	17beta-hydroxy steroid; aromatic ether; terminal acetylenic compound	prodrug; xenoestrogen	2004	2004	20.0	low	1	0
methylprednisolone	2	6-methylprednisolone; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antiemetic; environmental contaminant; neuroprotective agent; xenobiotic	2004	2011	16.5	low	1	1
estradiol dipropionate	1	steroid ester		2004	2004	20.0	low	1	0
nafcillin	1	penicillin allergen; penicillin	antibacterial drug	2004	2004	20.0	low	1	0
methohexital	1	acetylenic compound; barbiturates	drug allergen; intravenous anaesthetic	2004	2004	20.0	low	1	0
hydralazine hydrochloride	1	hydrochloride	antihypertensive agent; vasodilator agent	2011	2011	13.0	low	0	1
estradiol 17 beta-cypionate	1	steroid ester		2004	2004	20.0	low	1	0
testosterone enanthate	1	heptanoate ester; sterol ester	androgen	2004	2004	20.0	low	1	0
betamethasone	1	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic agent; anti-inflammatory drug; immunosuppressive agent	2004	2004	20.0	low	1	0
fluorometholone	1	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone	anti-inflammatory drug	2011	2011	13.0	low	0	1
chenodeoxycholic acid	1	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite	2004	2004	20.0	low	1	0
podophyllotoxin	1	furonaphthodioxole; lignan; organic heterotetracyclic compound	antimitotic; antineoplastic agent; keratolytic drug; microtubule-destabilising agent; plant metabolite; tubulin modulator	2004	2004	20.0	low	1	0
levocarnitine	1	carnitine	antilipemic drug; nootropic agent; nutraceutical; Saccharomyces cerevisiae metabolite; water-soluble vitamin (role)	2004	2004	20.0	low	1	0
megestrol acetate	1	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; steroid ester	antineoplastic agent; appetite enhancer; contraceptive drug; progestin; synthetic oral contraceptive	2004	2004	20.0	low	1	0
acetylcysteine	1	acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid	antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary	2004	2004	20.0	low	1	0
erythromycin	1	cyclic ketone; erythromycin		2004	2004	20.0	low	1	0
levonorgestrel	1	17beta-hydroxy steroid; 3-oxo-Delta(4) steroid; terminal acetylenic compound	contraceptive drug; female contraceptive drug; progestin; synthetic oral contraceptive	2004	2004	20.0	low	1	0
estradiol valerate	1	steroid ester		2004	2004	20.0	low	1	0
ethambutol	1	ethanolamines; ethylenediamine derivative	antitubercular agent; environmental contaminant; xenobiotic	2004	2004	20.0	low	1	0
2-tert-butylhydroquinone	1	hydroquinones	food antioxidant	2011	2011	13.0	low	0	1
dronabinol	2	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic	2004	2011	16.5	low	1	1
pimozide	1	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist	2004	2004	20.0	low	1	0
betamethasone valerate	1	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; primary alpha-hydroxy ketone; steroid ester	anti-inflammatory drug	2004	2004	20.0	low	1	0
methylprednisolone hemisuccinate	1	corticosteroid hormone; hemisuccinate		2004	2004	20.0	low	1	0
stavudine	1	dihydrofuran; nucleoside analogue; organic molecular entity	antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor	2004	2004	20.0	low	1	0
cyclacillin	1	penicillin	antibacterial drug	2004	2004	20.0	low	1	0
tranylcypromine	1	2-phenylcyclopropan-1-amine		2004	2004	20.0	low	1	0
cladribine	1	organochlorine compound; purine 2'-deoxyribonucleoside	antineoplastic agent; immunosuppressive agent	2004	2004	20.0	low	1	0
beclomethasone	1	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; corticosteroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-asthmatic drug; anti-inflammatory drug	2004	2004	20.0	low	1	0
estradiol enanthate	1	steroid ester		2004	2004	20.0	low	1	0
betamethasone-17,21-dipropionate	1	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; propanoate ester; steroid ester	antipsoriatic	2004	2004	20.0	low	1	0
olsalazine	1	azobenzenes; dicarboxylic acid	non-steroidal anti-inflammatory drug; prodrug	2004	2004	20.0	low	1	0
zalcitabine	1	pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor	2004	2004	20.0	low	1	0
selegiline	1	selegiline; terminal acetylenic compound	geroprotector	2004	2004	20.0	low	1	0
levamisole	1	6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole	antinematodal drug; antirheumatic drug; EC 3.1.3.1 (alkaline phosphatase) inhibitor; immunological adjuvant; immunomodulator	2004	2004	20.0	low	1	0
cephalexin	1	beta-lactam antibiotic allergen; cephalosporin; semisynthetic derivative	antibacterial drug	2004	2004	20.0	low	1	0
isosorbide-5-mononitrate	1	glucitol derivative; nitrate ester	nitric oxide donor; vasodilator agent	2004	2004	20.0	low	1	0
danazol	1	17beta-hydroxy steroid; terminal acetylenic compound	anti-estrogen; estrogen antagonist; geroprotector	2004	2004	20.0	low	1	0
daunorubicin	1	aminoglycoside antibiotic; anthracycline; p-quinones; tetracenequinones	antineoplastic agent; bacterial metabolite	2004	2004	20.0	low	1	0
cephapirin	1	cephalosporin	antibacterial drug	2004	2004	20.0	low	1	0
bromocriptine	1	indole alkaloid	antidyskinesia agent; antiparkinson drug; dopamine agonist; hormone antagonist	2004	2004	20.0	low	1	0
ursodeoxycholic acid	1	bile acid; C24-steroid; dihydroxy-5beta-cholanic acid	human metabolite; mouse metabolite	2004	2004	20.0	low	1	0
metipranolol	1	acetate ester; aromatic ether; propanolamine; secondary amino compound	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist	2004	2004	20.0	low	1	0
halazepam	1	organic molecular entity		2004	2004	20.0	low	1	0
du-21220	1	benzyl alcohols; polyphenol; secondary alcohol; secondary amino compound		2004	2004	20.0	low	1	0
cefazolin	1	beta-lactam antibiotic allergen; cephalosporin; tetrazoles; thiadiazoles	antibacterial drug	2004	2004	20.0	low	1	0
amoxicillin	1	penicillin allergen; penicillin	antibacterial drug	2004	2004	20.0	low	1	0
timolol	1	timolol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist	2004	2004	20.0	low	1	0
moricizine	1	carbamate ester; morpholines; phenothiazines	anti-arrhythmia drug	2004	2004	20.0	low	1	0
bitolterol	1	carboxylic ester; diester; ethanolamines; secondary alcohol; secondary amino compound	anti-asthmatic drug; beta-adrenergic agonist; bronchodilator agent; prodrug	2004	2004	20.0	low	1	0
zidovudine	1	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor	2004	2004	20.0	low	1	0
tobramycin	1	amino cyclitol glycoside	antibacterial agent; antimicrobial agent; toxin	2004	2004	20.0	low	1	0
paclitaxel	1	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent	2004	2004	20.0	low	1	0
etoposide	1	beta-D-glucoside; furonaphthodioxole; organic heterotetracyclic compound	antineoplastic agent; DNA synthesis inhibitor	2004	2004	20.0	low	1	0
dobutamine	1	catecholamine; secondary amine	beta-adrenergic agonist; cardiotonic drug; sympathomimetic agent	2004	2004	20.0	low	1	0
penbutolol	1	ethanolamines		2004	2004	20.0	low	1	0
ribavirin	1	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide	anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor	2004	2004	20.0	low	1	0
guanadrel	1	guanidines; spiroketal	adrenergic antagonist; antihypertensive agent	2004	2004	20.0	low	1	0
methyldopa	1	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	alpha-adrenergic agonist; antihypertensive agent; hapten; peripheral nervous system drug; sympatholytic agent	2004	2004	20.0	low	1	0
tocainide	1	monocarboxylic acid amide	anti-arrhythmia drug; local anaesthetic; sodium channel blocker	2004	2004	20.0	low	1	0
sq-11725	1			2004	2004	20.0	low	1	0
diltiazem	1	5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate	antihypertensive agent; calcium channel blocker; vasodilator agent	2004	2004	20.0	low	1	0
levobunolol	1	aromatic ether; cyclic ketone; propanolamine	antiglaucoma drug; beta-adrenergic antagonist	2004	2004	20.0	low	1	0
vecuronium bromide	1	organic bromide salt; quaternary ammonium salt	muscle relaxant; neuromuscular agent; nicotinic antagonist	2004	2004	20.0	low	1	0
permethrin	1	cyclopropanecarboxylate ester; cyclopropanes	agrochemical; ectoparasiticide; pyrethroid ester acaricide; pyrethroid ester insecticide; scabicide	2004	2004	20.0	low	1	0
sufentanil	1	anilide; ether; piperidines; thiophenes	anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic	2004	2004	20.0	low	1	0
torsemide	1	aminopyridine; N-sulfonylurea; secondary amino compound	antihypertensive agent; loop diuretic	2004	2004	20.0	low	1	0
cefmetazole	1	cephalosporin	antibacterial drug	2004	2004	20.0	low	1	0
desflurane	1	organofluorine compound	inhalation anaesthetic	2004	2004	20.0	low	1	0
dinaline	1			2011	2011	13.0	low	0	1
idarubicin	1	anthracycline antibiotic; deoxy hexoside; monosaccharide derivative		2004	2004	20.0	low	1	0
cefonicid	1	cephalosporin	antibacterial drug	2004	2004	20.0	low	1	0
piperacillin	1	penicillin allergen; penicillin	antibacterial drug	2004	2004	20.0	low	1	0
paroxetine	1	aromatic ether; benzodioxoles; organofluorine compound; piperidines	antidepressant; anxiolytic drug; hepatotoxic agent; P450 inhibitor; serotonin uptake inhibitor	2004	2004	20.0	low	1	0
captopril	1	alkanethiol; L-proline derivative; N-acylpyrrolidine; pyrrolidinemonocarboxylic acid	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor	2004	2004	20.0	low	1	0
cefoperazone	1	cephalosporin	antibacterial drug	2004	2004	20.0	low	1	0
lodoxamide	1	organonitrogen compound; organooxygen compound		2004	2004	20.0	low	1	0
atracurium	1	diester; quaternary ammonium ion	muscle relaxant; nicotinic antagonist	2004	2004	20.0	low	1	0
butoconazole	1	aryl sulfide; conazole antifungal drug; dichlorobenzene; imidazole antifungal drug; imidazoles; monochlorobenzenes		2004	2004	20.0	low	1	0
naftifine	1	allylamine antifungal drug; naphthalenes; tertiary amine	EC 1.14.13.132 (squalene monooxygenase) inhibitor; sterol biosynthesis inhibitor	2004	2004	20.0	low	1	0
pergolide	1	diamine; methyl sulfide; organic heterotetracyclic compound	antiparkinson drug; dopamine agonist	2004	2004	20.0	low	1	0
colforsin	1	acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol	adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist	2011	2011	13.0	low	0	1
cefadroxil anhydrous	1	cephalosporin	antibacterial drug	2004	2004	20.0	low	1	0
encainide	1	benzamides; piperidines	anti-arrhythmia drug; sodium channel blocker	2004	2004	20.0	low	1	0
nedocromil	1	dicarboxylic acid; organic heterotricyclic compound	anti-allergic agent; anti-asthmatic drug; non-steroidal anti-inflammatory drug	2004	2004	20.0	low	1	0
cefaclor anhydrous	1	cephalosporin	antibacterial drug; drug allergen	2004	2004	20.0	low	1	0
alfentanil	1	monocarboxylic acid amide; piperidines	central nervous system depressant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; peripheral nervous system drug	2004	2004	20.0	low	1	0
cefotetan	1			2004	2004	20.0	low	1	0
lovastatin	1	delta-lactone; fatty acid ester; hexahydronaphthalenes; polyketide; statin (naturally occurring)	anticholesteremic drug; antineoplastic agent; Aspergillus metabolite; prodrug	2004	2004	20.0	low	1	0
levocabastine	1	piperidines		2004	2004	20.0	low	1	0
simvastatin	1	delta-lactone; fatty acid ester; hexahydronaphthalenes; statin (semi-synthetic)	EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor; EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor; ferroptosis inducer; geroprotector; prodrug	2004	2004	20.0	low	1	0
pravastatin	1	3-hydroxy carboxylic acid; carbobicyclic compound; carboxylic ester; hydroxy monocarboxylic acid; secondary alcohol; statin (semi-synthetic)	anticholesteremic drug; environmental contaminant; metabolite; xenobiotic	2004	2004	20.0	low	1	0
cabergoline	1	N-acylurea	antineoplastic agent; antiparkinson drug; dopamine agonist	2004	2004	20.0	low	1	0
quinapril	1	dicarboxylic acid monoester; ethyl ester; isoquinolines; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug	2004	2004	20.0	low	1	0
fosphenytoin	1	imidazolidine-2,4-dione		2004	2004	20.0	low	1	0
finasteride	1	3-oxo steroid; aza-steroid; delta-lactam	androgen antagonist; antihyperplasia drug; EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor	2004	2004	20.0	low	1	0
esmolol	1	aromatic ether; ethanolamines; methyl ester; secondary alcohol; secondary amino compound		2004	2004	20.0	low	1	0
adapalene	1	adamantanes; monocarboxylic acid; naphthoic acid	dermatologic drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor; non-steroidal anti-inflammatory drug	2004	2004	20.0	low	1	0
sparfloxacin	1	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone		2004	2004	20.0	low	1	0
zileuton	1	1-benzothiophenes; ureas	anti-asthmatic drug; EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor; ferroptosis inhibitor; leukotriene antagonist; non-steroidal anti-inflammatory drug	2004	2004	20.0	low	1	0
amlodipine besylate	1	organosulfonate salt	antihypertensive agent; calcium channel blocker; vasodilator agent	2011	2011	13.0	low	0	1
cidofovir anhydrous	1	phosphonic acids; pyrimidone	anti-HIV agent; antineoplastic agent; antiviral drug; photosensitizing agent	2004	2004	20.0	low	1	0
topotecan	1	pyranoindolizinoquinoline	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor	2004	2004	20.0	low	1	0
gemcitabine	1	organofluorine compound; pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent; antiviral drug; DNA synthesis inhibitor; EC 1.17.4.1 (ribonucleoside-diphosphate reductase) inhibitor; environmental contaminant; immunosuppressive agent; photosensitizing agent; prodrug; radiosensitizing agent; xenobiotic	2004	2004	20.0	low	1	0
ibutilide	1	benzenes; organic amino compound		2004	2004	20.0	low	1	0
remifentanil	1	alpha-amino acid ester; anilide; monocarboxylic acid amide; piperidinecarboxylate ester	intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic; sedative	2004	2004	20.0	low	1	0
atorvastatin	1	aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic)	environmental contaminant; xenobiotic	2004	2004	20.0	low	1	0
lamivudine	1	monothioacetal; nucleoside analogue; oxacycle; primary alcohol	allergen; anti-HBV agent; antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor; prodrug	2004	2004	20.0	low	1	0
irinotecan	1	carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug	2004	2004	20.0	low	1	0
valsartan	1	biphenylyltetrazole; monocarboxylic acid amide; monocarboxylic acid	angiotensin receptor antagonist; antihypertensive agent; environmental contaminant; xenobiotic	2004	2004	20.0	low	1	0
adenosine	1	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent	2004	2004	20.0	low	1	0
cefprozil	1	cephalosporin; semisynthetic derivative	antibacterial drug	2004	2004	20.0	medium	1	0
methylprednisolone aceponate	1	corticosteroid hormone		2004	2004	20.0	low	1	0
dexamethasone 17-valerate	1	21-hydroxy steroid		2004	2004	20.0	low	1	0
dexamethasone dipropionate	1	corticosteroid hormone		2004	2004	20.0	low	1	0
proadifen hydrochloride	1			2011	2011	13.0	low	0	1
iopamidol	1	benzenedicarboxamide; organoiodine compound; pentol	environmental contaminant; radioopaque medium; xenobiotic	2004	2004	20.0	low	1	0
bumecain	1			2011	2011	13.0	low	0	1
dexfenfluramine	1	fenfluramine	appetite depressant; serotonergic agonist; serotonin uptake inhibitor	2004	2004	20.0	low	1	0
spiramide	1	aromatic ether; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound	dopaminergic antagonist; serotonergic antagonist	2011	2011	13.0	low	0	1
sertraline	1	dichlorobenzene; secondary amino compound; tetralins	antidepressant; serotonin uptake inhibitor	2004	2004	20.0	low	1	0
ryodipine	1			2011	2011	13.0	low	0	1
erythromycin propionate	1	erythromycin derivative		2004	2004	20.0	low	1	0
dexrazoxane	1	razoxane	antineoplastic agent; cardiovascular drug; chelator; immunosuppressive agent	2004	2004	20.0	low	1	0
antebate	1	corticosteroid hormone		2004	2004	20.0	low	1	0
atovaquone	1	hydroxy-1,2-naphthoquinone		2004	2004	20.0	low	1	0
flunisolide	1	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; primary alpha-hydroxy ketone	anti-asthmatic drug; anti-inflammatory drug; immunosuppressive agent	2004	2004	20.0	low	1	0
clarithromycin	1	macrolide antibiotic	antibacterial drug; environmental contaminant; protein synthesis inhibitor; xenobiotic	2004	2004	20.0	low	1	0
nicotine	1	3-(1-methylpyrrolidin-2-yl)pyridine	anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic	2004	2004	20.0	low	1	0
moexipril	1	peptide		2004	2004	20.0	low	1	0
droxidopa	1	catechols; L-tyrosine derivative	antihypertensive agent; prodrug; vasoconstrictor agent	2011	2011	13.0	low	0	1
bosentan anhydrous	1	primary alcohol; pyrimidines; sulfonamide	antihypertensive agent; endothelin receptor antagonist	2011	2011	13.0	low	0	1
methotrexate	1	dicarboxylic acid; monocarboxylic acid amide; pteridines	abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent	2004	2004	20.0	low	1	0
docetaxel	1	hydrate; secondary alpha-hydroxy ketone	antineoplastic agent	2004	2004	20.0	low	1	0
levofloxacin	1	9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid; fluoroquinolone antibiotic; quinolone antibiotic	antibacterial drug; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; topoisomerase IV inhibitor	2004	2004	20.0	low	1	0
naproxen	1	methoxynaphthalene; monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic	2004	2004	20.0	low	1	0
ropivacaine	1	piperidinecarboxamide; ropivacaine	local anaesthetic	2004	2004	20.0	low	1	0
demecolcine	1	alkaloid; secondary amino compound	antineoplastic agent; microtubule-destabilising agent	2011	2011	13.0	low	0	1
estradiol 3-benzoate	1	17beta-hydroxy steroid; benzoate ester	estrogen receptor agonist; xenoestrogen	2004	2004	20.0	low	1	0
testosterone isocaproate	1	steroid ester		2011	2011	13.0	medium	0	1
epinastine	1	corticosteroid hormone		2011	2011	13.0	low	0	1
estramustine	1	17beta-hydroxy steroid; carbamate ester; organochlorine compound	alkylating agent; antineoplastic agent; radiation protective agent	2004	2004	20.0	low	1	0
ritonavir	2	1,3-thiazoles; carbamate ester; carboxamide; L-valine derivative; ureas	antiviral drug; environmental contaminant; HIV protease inhibitor; xenobiotic	2004	2011	16.5	low	1	1
pentostatin	1	coformycins	antimetabolite; antineoplastic agent; Aspergillus metabolite; bacterial metabolite; EC 3.5.4.4 (adenosine deaminase) inhibitor	2004	2004	20.0	low	1	0
quinidine	1	cinchona alkaloid	alpha-adrenergic antagonist; anti-arrhythmia drug; antimalarial; drug allergen; EC 1.14.13.181 (13-deoxydaunorubicin hydroxylase) inhibitor; EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; muscarinic antagonist; P450 inhibitor; potassium channel blocker; sodium channel blocker	2004	2004	20.0	low	1	0
meropenem	1	alpha,beta-unsaturated monocarboxylic acid; carbapenemcarboxylic acid; organic sulfide; pyrrolidinecarboxamide	antibacterial agent; antibacterial drug; drug allergen	2004	2004	20.0	low	1	0
griseofulvin	1	1-benzofurans; antibiotic antifungal drug; benzofuran antifungal drug; organochlorine compound; oxaspiro compound	antibacterial agent; Penicillium metabolite	2004	2004	20.0	low	1	0
cefoxitin	1	beta-lactam antibiotic allergen; cephalosporin; cephamycin; semisynthetic derivative	antibacterial drug	2004	2004	20.0	low	1	0
saquinavir	1	L-asparagine derivative; quinolines	antiviral drug; HIV protease inhibitor	2004	2004	20.0	low	1	0
netilmicin	1			2004	2004	20.0	low	1	0
metyrosine	1	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid	antihypertensive agent; EC 1.14.16.2 (tyrosine 3-monooxygenase) inhibitor	2004	2004	20.0	low	1	0
rocuronium bromide	1	organic bromide salt; quaternary ammonium salt	muscle relaxant; neuromuscular agent	2004	2004	20.0	high	1	0
terconazole	2	1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine		2004	2011	16.5	low	1	1
bacampicillin	1	penicillanic acid ester	prodrug	2004	2004	20.0	low	1	0
carubicin	1	aminoglycoside antibiotic; anthracycline antibiotic; p-quinones; tertiary alpha-hydroxy ketone; tetracenequinones	antineoplastic agent; apoptosis inducer	2011	2011	13.0	medium	0	1
erythromycin ethylsuccinate	1	cyclic ketone; erythromycin derivative; ethyl ester; succinate ester		2004	2004	20.0	low	1	0
amcinonide	1	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; corticosteroid; fluorinated steroid; spiroketal	anti-inflammatory drug	2004	2004	20.0	low	1	0
betamethasone acetate	1	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; acetate ester; fluorinated steroid; steroid ester; tertiary alpha-hydroxy ketone		2004	2004	20.0	low	1	0
acarbose	1	amino cyclitol; glycoside		2004	2004	20.0	low	1	0
tretinoin	1	retinoic acid; vitamin A	anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule	2004	2004	20.0	low	1	0
tacrolimus	1	macrolide lactam	bacterial metabolite; immunosuppressive agent	2011	2011	13.0	low	0	1
sr 12813	1	organic phosphonate; phenols	pregnane X receptor agonist	2011	2011	13.0	low	0	1
mycophenolic acid	1	2-benzofurans; gamma-lactone; monocarboxylic acid; phenols	anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic	2004	2004	20.0	low	1	0
mupirocin	1	alpha,beta-unsaturated carboxylic ester; epoxide; monocarboxylic acid; oxanes; secondary alcohol; triol	antibacterial drug; bacterial metabolite; protein synthesis inhibitor	2004	2004	20.0	low	1	0
fosfomycin	1	epoxide; phosphonic acids	antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor	2004	2004	20.0	low	1	0
zithromax	1	macrolide antibiotic	antibacterial drug; environmental contaminant; xenobiotic	2004	2004	20.0	low	1	0
epothilone b	1	epothilone; epoxide	antineoplastic agent; apoptosis inducer; microtubule-stabilising agent	2011	2011	13.0	low	0	1
teniposide	1	aromatic ether; beta-D-glucoside; cyclic acetal; furonaphthodioxole; gamma-lactone; monosaccharide derivative; phenols; thiophenes	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor	2004	2004	20.0	low	1	0
cefamandole	1	cephalosporin; semisynthetic derivative	antibacterial drug	2004	2004	20.0	low	1	0
diclazuril	1	nitrile		2011	2011	13.0	low	0	1
dactinomycin	1	actinomycin	mutagen	2004	2004	20.0	low	1	0
melphalan	1	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent	2004	2004	20.0	low	1	0
sch 22219	1	11beta-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; glucocorticoid; propanoate ester; steroid ester	anti-inflammatory drug	2004	2004	20.0	low	1	0
triiodothyronine, reverse	1	3,3',5'-triiodothyronine; amino acid zwitterion		2011	2011	13.0	low	0	1
mezlocillin	1	penicillin allergen; penicillin	antibacterial drug	2004	2004	20.0	low	1	0
cholinophyllin	1			2004	2004	20.0	low	1	0
fludarabine	1	purine nucleoside		2004	2004	20.0	low	1	0
propylthiouracil	1	pyrimidinethione	antidote to paracetamol poisoning; antimetabolite; antioxidant; antithyroid drug; carcinogenic agent; EC 1.14.13.39 (nitric oxide synthase) inhibitor; hormone antagonist	2004	2004	20.0	low	1	0
ipratropium bromide anhydrous	1			2004	2004	20.0	low	1	0
etomidate	1	ethyl ester; imidazoles	intravenous anaesthetic; sedative	2004	2004	20.0	low	1	0
mercaptopurine	1	aryl thiol; purines; thiocarbonyl compound	anticoronaviral agent; antimetabolite; antineoplastic agent	2004	2004	20.0	low	1	0
thiothixene	1	N-methylpiperazine	anticoronaviral agent	2004	2004	20.0	low	1	0
benztropine	1	diarylmethane		2004	2004	20.0	low	1	0
sulindac	1	monocarboxylic acid; organofluorine compound; sulfoxide	analgesic; antineoplastic agent; antipyretic; apoptosis inducer; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug; prodrug; tocolytic agent	2004	2004	20.0	low	1	0
enclomiphene	1			2004	2004	20.0	low	1	0
terbinafine	1	acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine	EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor	2004	2004	20.0	low	1	0
thioguanine anhydrous	1	2-aminopurines	anticoronaviral agent; antimetabolite; antineoplastic agent	2004	2004	20.0	low	1	0
succimer	1	dicarboxylic acid; dithiol; sulfur-containing carboxylic acid	chelator	2004	2004	20.0	low	1	0
streptozocin	1			2004	2004	20.0	low	1	0
tamoxifen	1	stilbenoid; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator	2004	2004	20.0	low	1	0
ethionamide	1	pyridines; thiocarboxamide	antilipemic drug; antitubercular agent; fatty acid synthesis inhibitor; leprostatic drug; prodrug	2004	2004	20.0	low	1	0
zeranol	1	macrolide		2011	2011	13.0	low	0	1
dezocine	1	phenols; primary amino compound	opioid analgesic	2004	2004	20.0	low	1	0
dapiprazole	1	N-alkylpiperazine; N-arylpiperazine; pyridines	alpha-adrenergic antagonist; antipsychotic agent; miotic; ophthalmology drug	2004	2004	20.0	low	1	0
orlistat	1	beta-lactone; carboxylic ester; formamides; L-leucine derivative	anti-obesity agent; bacterial metabolite; EC 2.3.1.85 (fatty acid synthase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor	2011	2011	13.0	low	0	1
flosequinan	1	quinolines		2004	2004	20.0	low	1	0
calcitriol	1	D3 vitamins; hydroxycalciol; triol	antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical	2004	2004	20.0	low	1	0
alprostadil	1	prostaglandins E	anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent	2004	2004	20.0	low	1	0
alpha-linolenic acid	1	linolenic acid; omega-3 fatty acid	micronutrient; mouse metabolite; nutraceutical	2011	2011	13.0	low	0	1
amphotericin b	1	antibiotic antifungal drug; macrolide antibiotic; polyene antibiotic	antiamoebic agent; antiprotozoal drug; bacterial metabolite	2004	2004	20.0	low	1	0
pulmicort	1	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic acetal; glucocorticoid; primary alpha-hydroxy ketone	anti-inflammatory drug; bronchodilator agent; drug allergen	2004	2004	20.0	low	1	0
olopatadine	1			2004	2004	20.0	medium	1	0
bw b1090u	1	isoquinolines		2004	2004	20.0	high	1	0
7432 s	1	cephalosporin; dicarboxylic acid	antibacterial drug	2004	2004	20.0	low	1	0
etretinate	1	enoate ester; ethyl ester; retinoid	keratolytic drug	2004	2004	20.0	low	1	0
isotretinoin	1	retinoic acid	antineoplastic agent; keratolytic drug; teratogenic agent	2004	2004	20.0	low	1	0
misoprostol	1			2004	2004	20.0	low	1	0
epoprostenol	1	prostaglandins I	mouse metabolite	2004	2004	20.0	low	1	0
betamethasone benzoate	1	21-hydroxy steroid		2004	2004	20.0	medium	1	0
dorzolamide	1	sulfonamide; thiophenes	antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor	2004	2004	20.0	low	1	0
hydromorphone	1	morphinane alkaloid; organic heteropentacyclic compound	mu-opioid receptor agonist; opioid analgesic	2004	2004	20.0	low	1	0
ly 163892	1	carbacephem; zwitterion	antibacterial drug; antimicrobial agent	2004	2004	20.0	low	1	0
nalmefene	1	morphinane alkaloid		2004	2004	20.0	low	1	0
sirolimus	1	antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol	antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor	2011	2011	13.0	low	0	1
topiramate	1	cyclic ketal; ketohexose derivative; sulfamate ester	anticonvulsant; sodium channel blocker	2004	2004	20.0	low	1	0
calcipotriene	1	cyclopropanes; hydroxy seco-steroid; seco-cholestane; secondary alcohol; triol	antipsoriatic; drug allergen	2004	2004	20.0	medium	1	0
clobetasol	1	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; chlorinated steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone	anti-inflammatory drug; SMO receptor agonist	2004	2004	20.0	low	1	0
desoximetasone	1	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone	anti-inflammatory drug; antipruritic drug	2011	2011	13.0	low	0	1
fluticasone	1	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; corticosteroid; fluorinated steroid; thioester	anti-allergic agent; anti-asthmatic drug	2004	2004	20.0	low	1	0
halobetasol	1	corticosteroid hormone		2004	2004	20.0	low	1	0
latanoprost	1	isopropyl ester; prostaglandins Falpha; triol	antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor; prodrug	2004	2004	20.0	low	1	0
nalbuphine	1	organic heteropentacyclic compound	mu-opioid receptor antagonist; opioid analgesic	2004	2004	20.0	low	1	0
vinorelbine	1	acetate ester; methyl ester; organic heteropentacyclic compound; organic heterotetracyclic compound; ring assembly; vinca alkaloid	antineoplastic agent; photosensitizing agent	2004	2004	20.0	low	1	0
fluvoxamine	1	(trifluoromethyl)benzenes; 5-methoxyvalerophenone O-(2-aminoethyl)oxime	antidepressant; anxiolytic drug; serotonin uptake inhibitor	2004	2004	20.0	low	1	0
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid	1	dihydroxy monocarboxylic acid; indoles; organofluorine compound		2004	2004	20.0	low	1	0
oxiconazole	1	conazole antifungal drug; dichlorobenzene; imidazole antifungal drug; imidazoles; oxime O-ether	antiinfective agent	2004	2004	20.0	low	1	0
naltrexone	1	cyclopropanes; morphinane-like compound; organic heteropentacyclic compound	antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic	2004	2004	20.0	low	1	0
butorphanol	1	morphinane alkaloid	antitussive; kappa-opioid receptor agonist; mu-opioid receptor agonist; opioid analgesic	2004	2004	20.0	low	1	0
cefixime	1	cephalosporin	antibacterial drug; drug allergen	2004	2004	20.0	low	1	0
lisinopril	1	dipeptide	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor	2004	2004	20.0	low	1	0
benazepril	1	benzazepine; dicarboxylic acid monoester; ethyl ester; lactam	EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug	2004	2004	20.0	low	1	0
ramipril	1	azabicycloalkane; cyclopentapyrrole; dicarboxylic acid monoester; dipeptide; ethyl ester	bradykinin receptor B2 agonist; cardioprotective agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; matrix metalloproteinase inhibitor; prodrug	2004	2004	20.0	low	1	0
indinavir sulfate	1	dicarboxylic acid diamide; N-(2-hydroxyethyl)piperazine; piperazinecarboxamide	HIV protease inhibitor	2004	2004	20.0	low	1	0
enalapril	1	dicarboxylic acid monoester; dipeptide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; geroprotector; prodrug	2004	2004	20.0	low	1	0
indinavir sulfate	1	azaheterocycle sulfate salt		2011	2011	13.0	low	0	1
cefuroxime	1	3-(carbamoyloxymethyl)cephalosporin; furans; oxime O-ether	drug allergen	2004	2004	20.0	low	1	0
ceftriaxone	1	1,2,4-triazines; 1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 3.5.2.6 (beta-lactamase) inhibitor	2004	2004	20.0	low	1	0
cefepime	1	cephalosporin; oxime O-ether	antibacterial drug	2004	2004	20.0	low	1	0
ceftazidime	1	cephalosporin; oxime O-ether	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor	2004	2004	20.0	low	1	0
trandolapril	1	dicarboxylic acid monoester; dipeptide; ethyl ester; organic heterobicyclic compound; secondary amino compound; tertiary carboxamide	antihypertensive agent; EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor; prodrug	2004	2004	20.0	low	1	0
guanabenz	1	dichlorobenzene		2004	2004	20.0	low	1	0
famotidine	1	1,3-thiazoles; guanidines; sulfonamide	anti-ulcer drug; H2-receptor antagonist; P450 inhibitor	2004	2004	20.0	low	1	0
cefotaxime	1	1,3-thiazoles; cephalosporin; oxime O-ether	antibacterial drug; drug allergen	2004	2004	20.0	low	1	0
aztreonam	1	beta-lactam antibiotic allergen; monobactam	antibacterial drug; drug allergen; EC 2.4.1.129 (peptidoglycan glycosyltransferase) inhibitor	2004	2004	20.0	low	1	0
cci 15641	1	cephalosporin		2004	2004	20.0	medium	1	0
cefpodoxime	1	carboxylic acid; cephalosporin	antibacterial drug	2004	2004	20.0	low	1	0
lasalocid sodium	1	benzoates; organic sodium salt	coccidiostat; ionophore	2011	2011	13.0	low	0	1
rifaximin	1	acetate ester; cyclic ketal; lactam; macrocycle; organic heterohexacyclic compound; rifamycins; semisynthetic derivative	antimicrobial agent; gastrointestinal drug; orphan drug	2011	2011	13.0	low	0	1
dirithromycin	1	macrolide antibiotic	prodrug	2004	2004	20.0	low	1	0
cefpodoxime proxetil	1	carboxylic acid; carboxylic ester; cephalosporin	antibacterial drug; prodrug	2004	2004	20.0	low	1	0
ceftizoxime	1	cephalosporin	antibacterial drug	2004	2004	20.0	low	1	0
nitrofurantoin	1	imidazolidine-2,4-dione; nitrofuran antibiotic; organonitrogen heterocyclic antibiotic; organooxygen heterocyclic antibiotic	antibacterial drug; antiinfective agent; hepatotoxic agent	2004	2004	20.0	low	1	0
dantrolene	1			2004	2004	20.0	low	1	0
lu 208075	1	diarylmethane		2011	2011	13.0	low	0	1
fosinopril	1			2004	2004	20.0	medium	1	0
nystatin a1	1	nystatins		2004	2004	20.0	low	1	0
mesna	1	organosulfonic acid		2004	2004	20.0	low	1	0
tianeptine	1			2011	2011	13.0	medium	0	1
cefamandole nafate	1	organic sodium salt	antibacterial drug; prodrug	2004	2004	20.0	medium	1	0
tetracycline	1			2004	2004	20.0	low	1	0
minocycline	1			2004	2004	20.0	low	1	0
piroxicam	1	benzothiazine; monocarboxylic acid amide; pyridines	analgesic; antirheumatic drug; cyclooxygenase 1 inhibitor; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-steroidal anti-inflammatory drug	2004	2004	20.0	low	1	0
meclocycline	1			2004	2004	20.0	low	1	0
warfarin	1	benzenes; hydroxycoumarin; methyl ketone		2004	2004	20.0	low	1	0
methacycline monohydrochloride	1			2011	2011	13.0	low	0	1
acyclovir	1	2-aminopurines; oxopurine	antimetabolite; antiviral drug	2004	2004	20.0	low	1	0
rifampin	2	cyclic ketal; hydrazone; N-iminopiperazine; N-methylpiperazine; rifamycins; semisynthetic derivative; zwitterion	angiogenesis inhibitor; antiamoebic agent; antineoplastic agent; antitubercular agent; DNA synthesis inhibitor; EC 2.7.7.6 (RNA polymerase) inhibitor; Escherichia coli metabolite; geroprotector; leprostatic drug; neuroprotective agent; pregnane X receptor agonist; protein synthesis inhibitor	2004	2011	16.5	low	1	1
clozapine	1	benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound	adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic	2004	2004	20.0	low	1	0
didanosine	1	purine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; EC 2.4.2.1 (purine-nucleoside phosphorylase) inhibitor; geroprotector; HIV-1 reverse transcriptase inhibitor	2004	2004	20.0	low	1	0
ganciclovir	1	2-aminopurines; oxopurine	antiinfective agent; antiviral drug	2004	2004	20.0	low	1	0
valacyclovir	1	L-valyl ester	antiviral drug	2004	2004	20.0	low	1	0
olanzapine	1	benzodiazepine; N-arylpiperazine; N-methylpiperazine	antiemetic; dopaminergic antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; serotonin uptake inhibitor	2004	2004	20.0	low	1	0
penciclovir	1	2-aminopurines; propane-1,3-diols	antiviral drug	2004	2004	20.0	low	1	0
allopurinol	1	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger	2004	2004	20.0	low	1	0
rifabutin	1			2004	2004	20.0	low	1	0
febantel	1	aryl sulfide		2011	2011	13.0	low	0	1

Substance	Studies	Classes	Roles	First Year	Last Year	Average Age	Relationship Strength	Trials	pre-1990	1990's	2000's	2010's
alendronate	1	1,1-bis(phosphonic acid); primary amino compound	bone density conservation agent; EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor	1996	1996	28.0	low	0	0	1	0	0
diclofenac	1	amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic	2004	2004	20.0	low	0	0	0	1	0
indomethacin	1	aromatic ether; indole-3-acetic acids; monochlorobenzenes; N-acylindole	analgesic; drug metabolite; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; gout suppressant; non-steroidal anti-inflammatory drug; xenobiotic metabolite; xenobiotic	1980	1980	44.0	low	0	1	0	0	0
lansoprazole	1	benzimidazoles; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor	1996	1996	28.0	low	0	0	1	0	0
metformin	1	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic	1996	1996	28.0	low	0	0	1	0	0
omeprazole	1	aromatic ether; benzimidazoles; pyridines; sulfoxide		1996	1996	28.0	low	0	0	1	0	0
prednisolone	13	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	adrenergic agent; anti-inflammatory drug; antineoplastic agent; drug metabolite; environmental contaminant; immunosuppressive agent; xenobiotic	1980	2012	23.2	low	6	1	5	6	1
prednisolone acetate	7	corticosteroid hormone		1996	2010	19.9	low	4	0	1	6	0
fluocinolone acetonide	1	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; glucocorticoid; organic heteropentacyclic compound; primary alpha-hydroxy ketone	anti-inflammatory drug; antipruritic drug	1990	1990	34.0	low	0	0	1	0	0
valine	1	L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid; valine	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite	2007	2007	17.0	low	0	0	0	1	0
triamcinolone acetonide	1	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; cyclic ketal; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug	1990	1990	34.0	low	0	0	1	0	0
thiophenes	1	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent	1996	1996	28.0	low	0	0	1	0	0
fluorometholone	8	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 3-oxo-Delta(1),Delta(4)-steroid; fluorinated steroid; glucocorticoid; tertiary alpha-hydroxy ketone	anti-inflammatory drug	1996	2018	19.2	low	3	0	3	2	3
triamcinolone hexacetonide	1	corticosteroid hormone		1990	1990	34.0	low	0	0	1	0	0
triamcinolone	1	11beta-hydroxy steroid; 16alpha-hydroxy steroid; 17alpha-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; fluorinated steroid; glucocorticoid; primary alpha-hydroxy ketone; tertiary alpha-hydroxy ketone	anti-allergic agent; anti-inflammatory drug	1980	1980	44.0	low	0	1	0	0	0
tobramycin	1	amino cyclitol glycoside	antibacterial agent; antimicrobial agent; toxin	2004	2004	20.0	low	0	0	0	1	0
flunisolide	1	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic ketal; fluorinated steroid; primary alpha-hydroxy ketone	anti-asthmatic drug; anti-inflammatory drug; immunosuppressive agent	1990	1990	34.0	low	0	0	1	0	0
ketorolac tromethamine	2	organoammonium salt	analgesic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor	2001	2005	21.0	low	2	0	0	2	0
atropine	1			2015	2015	9.0	low	0	0	0	0	1
fibrin	1	peptide		1980	1980	44.0	low	0	1	0	0	0
loteprednol etabonate	3	11beta-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; etabonate ester; organochlorine compound; steroid acid ester; steroid ester	anti-inflammatory drug	1996	2012	21.7	low	0	0	2	0	1
oxazolone	1			1980	1980	44.0	low	0	1	0	0	0
dorzolamide	1	sulfonamide; thiophenes	antiglaucoma drug; antihypertensive agent; EC 4.2.1.1 (carbonic anhydrase) inhibitor	1996	1996	28.0	low	0	0	1	0	0
fluticasone	1	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; corticosteroid; fluorinated steroid; thioester	anti-allergic agent; anti-asthmatic drug	2010	2010	14.0	low	0	0	0	1	0
cyclosporine	1			2004	2004	20.0	low	0	0	0	1	0
acyclovir	1	2-aminopurines; oxopurine	antimetabolite; antiviral drug	2007	2007	17.0	low	0	0	0	1	0
valacyclovir	1	L-valyl ester	antiviral drug	2007	2007	17.0	low	0	0	0	1	0

Condition	Indicated	Studies	First Year	Last Year	Average Age	Relationship Strength	Trials	pre-1990	1990's	2000's	2010's
Active Hyperemia	0	1	2015	2015	9.0	low	0	0	0	0	1
Acute Disease	0	3	1996	2004	22.7	low	2	0	1	2	0
Acute Liver Injury, Drug-Induced	0	1	2011	2011	13.0	low	0	0	0	0	1
Adenoviridae Infections	0	1	2002	2002	22.0	low	0	0	0	1	0
Adenovirus Infections	0	1	2002	2002	22.0	low	0	0	0	1	0
Adjuvant Arthritis	0	3	1980	1990	40.7	low	0	2	1	0	0
Adrenal Gland Hypofunction	0	1	2012	2012	12.0	low	0	0	0	0	1
Adrenal Insufficiency	0	1	2012	2012	12.0	low	0	0	0	0	1
Adverse Drug Event	0	2	2004	2011	16.5	low	0	0	0	1	1
Anasarca	0	1	1980	1980	44.0	low	0	1	0	0	0
Anemia, Fanconi	0	1	2016	2016	8.0	low	0	0	0	0	1
Arthritis	0	2	1980	1980	44.0	low	0	2	0	0	0
Arthritis, Juvenile	0	1	2010	2010	14.0	low	0	0	0	1	0
Arthritis, Juvenile Chronic	0	1	2010	2010	14.0	low	0	0	0	1	0
Arthritis, Rheumatoid	0	4	1987	2004	30.2	low	2	1	2	1	0
Body Weight	0	2	1980	1999	34.5	low	0	1	1	0	0
Cataract	0	1	2010	2010	14.0	low	0	0	0	1	0
Cataract, Membranous	0	1	2010	2010	14.0	low	0	0	0	1	0
Chemical and Drug Induced Liver Injury	0	1	2011	2011	13.0	low	0	0	0	0	1
Chronic Disease	0	3	1996	2020	17.3	low	2	0	1	1	1
Chronic Illness	0	3	1996	2020	17.3	low	2	0	1	1	1
Colitis, Granulomatous	0	1	2015	2015	9.0	low	0	0	0	0	1
Complication, Postoperative	0	3	2004	2018	14.0	low	3	0	0	2	1
Concomitant Strabismus	0	2	2003	2018	13.5	low	2	0	0	1	1
Conjunctivitis	0	1	2015	2015	9.0	low	0	0	0	0	1
Corneal Diseases	0	1	2015	2015	9.0	low	0	0	0	0	1
Corneal Ulcer	0	1	2001	2001	23.0	low	0	0	0	1	0
Crohn Disease	0	1	2015	2015	9.0	low	0	0	0	0	1
Disease Models, Animal	0	4	1980	2012	24.8	low	0	1	1	1	1
Diseases, Occupational	0	1	2015	2015	9.0	low	0	0	0	0	1
Drug-Related Side Effects and Adverse Reactions	0	2	2004	2011	16.5	low	0	0	0	1	1
Edema	0	1	1980	1980	44.0	low	0	1	0	0	0
Encephalitis, Polio	0	1	2011	2011	13.0	low	0	0	0	0	1
Endophthalmitis	0	2	1997	2008	21.5	low	2	0	1	1	0
Erythema	0	1	1980	1980	44.0	low	0	1	0	0	0
Eye Diseases	1	2	1996	1998	27.0	low	0	0	2	0	0
Eye Disorders	0	2	1996	1998	27.0	low	0	0	2	0	0
Eye Foreign Bodies	0	1	2015	2015	9.0	low	0	0	0	0	1
Fanconi Anemia	0	1	2016	2016	8.0	low	0	0	0	0	1
Foreign-Body Migration	0	1	2015	2015	9.0	low	0	0	0	0	1
Glaucoma	0	1	2020	2020	4.0	low	0	0	0	0	1
Glaucoma, Suspect	0	7	1996	2018	20.4	low	3	0	3	2	2
Herpes Simplex Keratitis	0	1	2007	2007	17.0	low	0	0	0	1	0
Hyperemia	0	1	2015	2015	9.0	low	0	0	0	0	1
Infectious Endophthalmitis	0	2	1997	2008	21.5	low	2	0	1	1	0
Inflammation	0	3	2003	2010	18.3	low	2	0	0	3	0
Innate Inflammatory Response	0	3	2003	2010	18.3	low	2	0	0	3	0
Intraocular Pressure	0	12	1996	2020	20.0	low	7	0	5	4	3
Keratitis	0	1	2015	2015	9.0	low	0	0	0	0	1
Keratitis, Herpetic	0	1	2007	2007	17.0	low	0	0	0	1	0
Keratitis, Ulcerative	0	1	2001	2001	23.0	low	0	0	0	1	0
Keratoconjunctivitis	0	1	2002	2002	22.0	low	0	0	0	1	0
Middle Ear Effusion	0	2	2006	2010	16.0	low	0	0	0	2	0
Ocular Hypertension	0	7	1996	2018	20.4	low	3	0	3	2	2
Otitis Media with Effusion	0	2	2006	2010	16.0	low	0	0	0	2	0
Pink Eye	0	1	2015	2015	9.0	low	0	0	0	0	1
Plica Syndrome	0	1	1994	1994	30.0	low	1	0	1	0	0
Poliomyelitis	0	1	2011	2011	13.0	low	0	0	0	0	1
Polyarthritis	0	2	1980	1980	44.0	low	0	2	0	0	0
Postoperative Complications	0	3	2004	2018	14.0	low	3	0	0	2	1
Recrudescence	0	4	1996	2015	18.5	low	2	0	1	2	1
Rheumatoid Arthritis	0	4	1987	2004	30.2	low	2	1	2	1	0
Strabismus	0	2	2003	2018	13.5	low	2	0	0	1	1
Synovitis	0	1	1994	1994	30.0	low	1	0	1	0	0
Uveitis	0	1	1996	1996	28.0	low	1	0	1	0	0
Uveitis, Anterior	0	8	1996	2020	18.5	low	4	0	1	6	1

Safety/Toxicity (6)

Article	Year
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps). PLoS computational biology, , Volume: 7, Issue:12	2011
Assessment of the health effects of chemicals in humans: II. Construction of an adverse effects database for QSAR modeling. Current drug discovery technologies, , Volume: 1, Issue:4	2004
Efficacy and safety of 1% rimexolone versus 1% prednisolone acetate in the treatment of anterior uveitis--a randomized triple masked study. International ophthalmology, , Volume: 25, Issue:3	2004
Efficacy and safety of rimexolone 1% versus prednisolone acetate 1% in the control of postoperative inflammation following phacoemulsification cataract surgery. International ophthalmology, , Volume: 25, Issue:1	2004
Reproductive toxicity studies in rats with rimexolone, a corticoid ophthalmic suspension. Toxicological sciences : an official journal of the Society of Toxicology, , Volume: 51, Issue:2	1999
Efficacy and safety of rimexolone 1% ophthalmic suspension vs 1% prednisolone acetate in the treatment of uveitis. American journal of ophthalmology, , Volume: 122, Issue:2	1996

Long-term Use (1)

Article	Year
Risk of cataract development among children with juvenile idiopathic arthritis-related uveitis treated with topical corticosteroids. Ophthalmology, , Volume: 117, Issue:7	2010

Pharmacokinetics (1)

Article	Year
Pharmacokinetics of rimexolone after intra-articular administration. Journal of clinical pharmacology, , Volume: 30, Issue:5	1990

Dosage (2)

Article	Year
Risk of cataract development among children with juvenile idiopathic arthritis-related uveitis treated with topical corticosteroids. Ophthalmology, , Volume: 117, Issue:7	2010
Pharmacological validation of a feline model of steroid-induced ocular hypertension. Archives of ophthalmology (Chicago, Ill. : 1960), , Volume: 117, Issue:3	1999

rimexolone

Description

Cross-References

Synonyms (80)

Drug Classes (1)

Protein Targets (10)

Potency Measurements

Activation Measurements

Bioassays (39)

Research

Studies (50)

Study Types

Related Drugs (573)

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