7-diethylaminocoumarin-3-carboxylic acid profile

ID Source	ID
PubMed CID	659294
CHEMBL ID	1303766
SCHEMBL ID	42693
MeSH ID	M0235299

Synonym
2h-1-benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-
7-diethylaminocoumarin-3-carboxylic acid
7-deacca
REGID857943
smr000035614
OPREA1_775235
CHEMDIV2_007849
MLS000042762
MAYBRIDGE1_006819
IDI1_006564
7-(diethylamino)coumarin-3-carboxylic acid, bioreagent, suitable for fluorescence, >=98.0% (hpce)
STK033954
7-(diethylamino)-2-oxo-2h-chromene-3-carboxylic acid
HMS1391E17
HMS560N21
AKOS001867894
7-(diethylamino)-2-oxochromene-3-carboxylic acid
CHEMBL1303766 ,
50995-74-9
7-(diethylamino)-2-oxo-chromene-3-carboxylic acid
A828384
7-(diethylamino)coumarin-3-carboxylic acid
HMS2393A03
FT-0600960
7acc1
S5308
7-diethylamino-2-oxo-2h-chromene-3-carboxylic acid
bdbm50442710
AM80911
D4238
BBL028135
SCHEMBL42693
WHCPTFFIERCDSB-UHFFFAOYSA-N
7-diethylamino-2-oxo-2h-1-benzopyran-3-carboxylic acid
CS-3434
mfcd00068721
SY026053
J-100102
HY-D0067
DTXSID80198994
AS-8858
CCG-252402
deac;coumarin d 1421;d 1421
BCP31790
d 1421
coumarin d 1421
LCZC254
Y10510
EN300-246176
7-(diethylamino)-2-oxo-2h-chromene-3-carboxylicacid
Z1520160113

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, HADH2 protein	Homo sapiens (human)	Potency	25.1189	0.0251	20.2376	39.8107	AID886; AID893
Chain B, HADH2 protein	Homo sapiens (human)	Potency	25.1189	0.0251	20.2376	39.8107	AID886; AID893
Chain A, 2-oxoglutarate Oxygenase	Homo sapiens (human)	Potency	31.6228	0.1778	14.3909	39.8107	AID2147
Chain A, Ferritin light chain	Equus caballus (horse)	Potency	7.9433	5.6234	17.2929	31.6228	AID485281
acid sphingomyelinase	Homo sapiens (human)	Potency	25.1189	14.1254	24.0613	39.8107	AID504937
thioredoxin reductase	Rattus norvegicus (Norway rat)	Potency	44.6684	0.1000	20.8793	79.4328	AID588456
15-lipoxygenase, partial	Homo sapiens (human)	Potency	15.8489	0.0126	10.6917	88.5700	AID887
aldehyde dehydrogenase 1 family, member A1	Homo sapiens (human)	Potency	17.7828	0.0112	12.4002	100.0000	AID1030
nonstructural protein 1	Influenza A virus (A/WSN/1933(H1N1))	Potency	7.9433	0.2818	9.7212	35.4813	AID2326
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1	Homo sapiens (human)	Potency	25.1189	0.0018	15.6638	39.8107	AID894
importin subunit beta-1 isoform 1	Homo sapiens (human)	Potency	42.2090	5.8048	36.1306	65.1308	AID540253; AID540263
snurportin-1	Homo sapiens (human)	Potency	42.2090	5.8048	36.1306	65.1308	AID540253; AID540263
GTP-binding nuclear protein Ran isoform 1	Homo sapiens (human)	Potency	28.1838	5.8048	16.9962	25.9290	AID540253
geminin	Homo sapiens (human)	Potency	26.6195	0.0046	11.3741	33.4983	AID624296; AID624297
survival motor neuron protein isoform d	Homo sapiens (human)	Potency	3.1623	0.1259	12.2344	35.4813	AID1458
lethal factor (plasmid)	Bacillus anthracis str. A2012	Potency	3.1623	0.0200	10.7869	31.6228	AID912
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Monocarboxylate transporter 4	Homo sapiens (human)	IC50 (µMol)	0.5550	0.0010	0.3684	0.8600	AID780537; AID780538
Delta-type opioid receptor	Mus musculus (house mouse)	IC50 (µMol)	0.2500	0.0001	0.7298	10.0000	AID780537
Mu-type opioid receptor	Mus musculus (house mouse)	IC50 (µMol)	0.2500	0.0008	1.6992	10.0000	AID780537
Cannabinoid receptor 2	Mus musculus (house mouse)	IC50 (µMol)	0.2500	0.0620	0.1560	0.2500	AID780537
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
lactate transmembrane transport	Monocarboxylate transporter 4	Homo sapiens (human)
pyruvate catabolic process	Monocarboxylate transporter 4	Homo sapiens (human)
pyruvate transmembrane transport	Monocarboxylate transporter 4	Homo sapiens (human)
monocarboxylic acid transport	Monocarboxylate transporter 4	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
RNA binding	Monocarboxylate transporter 4	Homo sapiens (human)
protein binding	Monocarboxylate transporter 4	Homo sapiens (human)
monocarboxylic acid transmembrane transporter activity	Monocarboxylate transporter 4	Homo sapiens (human)
lactate:proton symporter activity	Monocarboxylate transporter 4	Homo sapiens (human)
pyruvate transmembrane transporter activity	Monocarboxylate transporter 4	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
plasma membrane	Monocarboxylate transporter 4	Homo sapiens (human)
membrane	Monocarboxylate transporter 4	Homo sapiens (human)
basolateral plasma membrane	Monocarboxylate transporter 4	Homo sapiens (human)
apical plasma membrane	Monocarboxylate transporter 4	Homo sapiens (human)
lateral plasma membrane	Monocarboxylate transporter 4	Homo sapiens (human)
nuclear membrane	Monocarboxylate transporter 4	Homo sapiens (human)
plasma membrane	Monocarboxylate transporter 4	Homo sapiens (human)
basolateral plasma membrane	Monocarboxylate transporter 4	Homo sapiens (human)
plasma membrane	Mu-type opioid receptor	Mus musculus (house mouse)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (39)

Assay ID	Title	Year	Journal	Article
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID1818033	Antiproliferative activity against human MDA-MB-231 cells assessed as inhibition of cell proliferation by MTT assay	2021	Bioorganic & medicinal chemistry letters, 11-15, Volume: 52	Synthesis and biological evaluation of N, N-dialkylcarboxy coumarin-NO donor conjugates as potential anticancer agents.
AID1487396	Antiproliferative activity against human HepG2 cells after 48 hrs by MTT assay	2017	Bioorganic & medicinal chemistry letters, 08-15, Volume: 27, Issue:16	Synthesis and biological evaluation of novel steroidal 5α,8α-epidioxyandrost-6-ene-3β-ol-17-(O-phenylacetamide)oxime derivatives as potential anticancer agents.
AID780536	Chemical stability of the compound in simulated gastric fluid assessed as compound remaining after 1 hr	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells.
AID780533	Chemical stability of the compound in simulated intestinal fluid assessed as compound remaining after 4 hrs	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells.
AID780526	Tmax in mouse at 3 mg/kg, ip	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells.
AID780538	Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in culture medium after 24 hrs by liquid scintillation counting	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells.
AID780540	Cytotoxicity against human SiHa cells in glucose-containing medium at 10 uM under hypoxia condition after 72 hrs by MTT assay	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells.
AID619470	Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramine at 100 uM after 15 mins by microplate fluorescence assay	2011	European journal of medicinal chemistry, Oct, Volume: 46, Issue:10	Synthesis and selective human monoamine oxidase inhibition of 3-carbonyl, 3-acyl, and 3-carboxyhydrazido coumarin derivatives.
AID780542	Cytotoxicity against human SiHa cells in glucose-containing medium after 72 hrs by MTT assay presence of pyruvate	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells.
AID780532	Metabolic stability in mouse plasma assessed as compound remaining after 1 hr	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells.
AID780528	Half life in mouse at 3 mg/kg, ip	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells.
AID780520	Ratio of alpha-cyano-4-hydroxycinnamate IC50 to compound IC50 for MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in culture medium after 24 hrs by liquid scintillation counti	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells.
AID780531	Half life in human hepatocytes	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells.
AID780529	Metabolic stability in human plasma assessed as compound remaining after 1 hr	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells.
AID1818036	Cytotoxicity against human MCF-10A cells assessed as inhibition of cell proliferation by MTT assay	2021	Bioorganic & medicinal chemistry letters, 11-15, Volume: 52	Synthesis and biological evaluation of N, N-dialkylcarboxy coumarin-NO donor conjugates as potential anticancer agents.
AID780539	Induction of apoptosis in human SiHa cells in lactate-containing medium assessed as caspase-3 cleavage at 10 uM after 48 hrs by Western blot analysis	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells.
AID780541	Cytotoxicity against human SiHa cells in glucose-containing medium at 10 uM under normoxia condition after 72 hrs by MTT assay	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells.
AID619467	Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramine at 100 uM after 15 mins by microplate fluorescence assay	2011	European journal of medicinal chemistry, Oct, Volume: 46, Issue:10	Synthesis and selective human monoamine oxidase inhibition of 3-carbonyl, 3-acyl, and 3-carboxyhydrazido coumarin derivatives.
AID780527	Cmax in mouse at 3 mg/kg, ip	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells.
AID1487398	Antiproliferative activity against human MCF7 cells after 48 hrs by MTT assay	2017	Bioorganic & medicinal chemistry letters, 08-15, Volume: 27, Issue:16	Synthesis and biological evaluation of novel steroidal 5α,8α-epidioxyandrost-6-ene-3β-ol-17-(O-phenylacetamide)oxime derivatives as potential anticancer agents.
AID780525	Toxicity in C57Bl6/J mouse assessed as mortality at 3 mg/kg, ip	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells.
AID1818034	Antiproliferative activity against mouse 4T1 cells assessed as inhibition of cell proliferation by MTT assay	2021	Bioorganic & medicinal chemistry letters, 11-15, Volume: 52	Synthesis and biological evaluation of N, N-dialkylcarboxy coumarin-NO donor conjugates as potential anticancer agents.
AID780543	Cytotoxicity against human SiHa cells in glucose-containing medium after 72 hrs by MTT assay absence of pyruvate	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells.
AID780535	Aqueous solubility of the compound in PBS buffer at pH 7.4	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells.
AID1487397	Antiproliferative activity against human SKHEP1 cells after 48 hrs by MTT assay	2017	Bioorganic & medicinal chemistry letters, 08-15, Volume: 27, Issue:16	Synthesis and biological evaluation of novel steroidal 5α,8α-epidioxyandrost-6-ene-3β-ol-17-(O-phenylacetamide)oxime derivatives as potential anticancer agents.
AID780545	Cytotoxicity against human SiHa cells in glucose-containing medium after 72 hrs by MTT assay	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells.
AID780524	AUC (infinity) in mouse at 3 mg/kg, ip	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells.
AID780534	Half life in mouse liver microsomes	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells.
AID1818035	Antiproliferative activity against human WiDr cells assessed as inhibition of cell proliferation by MTT assay	2021	Bioorganic & medicinal chemistry letters, 11-15, Volume: 52	Synthesis and biological evaluation of N, N-dialkylcarboxy coumarin-NO donor conjugates as potential anticancer agents.
AID780537	Inhibition of MCT4-mediated [14C]-lactate uptake in human SiHa cells in lactate-containing medium assessed as remaining lactate concentration in culture medium after 12 mins by liquid scintillation counting	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells.
AID1487399	Antiproliferative activity against human MDA-MB-231 cells after 48 hrs by MTT assay	2017	Bioorganic & medicinal chemistry letters, 08-15, Volume: 27, Issue:16	Synthesis and biological evaluation of novel steroidal 5α,8α-epidioxyandrost-6-ene-3β-ol-17-(O-phenylacetamide)oxime derivatives as potential anticancer agents.
AID780544	Cytotoxicity against human SiHa cells in lactate-containing medium after 72 hrs by MTT assay	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells.
AID780521	Toxicity in C57Bl6/J mouse assessed as induction of anticoagulant at 3 mg/kg, ip by prothrombin time test	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells.
AID780530	Half life in human liver microsomes	2013	Bioorganic & medicinal chemistry, Nov-15, Volume: 21, Issue:22	Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells.
AID652178	Confirmed Agonists of Novel Allosteric Modulators of the M1 Muscarinic Receptor	2013	Molecules (Basel, Switzerland), Jan-08, Volume: 18, Issue:1	Benchmarking ligand-based virtual High-Throughput Screening with the PubChem database.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	1 (5.56)	18.2507
2000's	5 (27.78)	29.6817
2010's	10 (55.56)	24.3611
2020's	2 (11.11)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	0 (0.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	18 (100.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
iproniazid [no description available]	2.06	1	carbohydrazide; pyridines
minoxidil Minoxidil: A potent direct-acting peripheral vasodilator (VASODILATOR AGENTS) that reduces peripheral resistance and produces a fall in BLOOD PRESSURE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p371). minoxidil : A pyrimidine N-oxide that is pyrimidine-2,4-diamine 3-oxide substituted by a piperidin-1-yl group at position 6.	2.08	1	dialkylarylamine; tertiary amino compound
moclobemide Moclobemide: A reversible inhibitor of monoamine oxidase type A; (RIMA); (see MONOAMINE OXIDASE INHIBITORS) that has antidepressive properties.. moclobemide : A member of the class of benzamides that is benzamide substituted by a chloro group at position 4 and a 2-(morpholin-4-yl)ethyl group at the nitrogen atom. It acts as a reversible monoamine oxidase inhibitor and is used in the treatment of depression.	2.06	1	benzamides; monochlorobenzenes; morpholines	antidepressant; environmental contaminant; xenobiotic
clorgyline Clorgyline: An antidepressive agent and monoamine oxidase inhibitor related to PARGYLINE.. clorgyline : An aromatic ether that is the 2,4-dichlorophenyl ether of 3-aminopropan-1-ol in which the nitrogen is substituted by a methyl group and a prop-1-yn-3-yl group. A monoamine oxidase inhibitor, it was formerly used as an antidepressant.	2.06	1	aromatic ether; dichlorobenzene; terminal acetylenic compound; tertiary amino compound	antidepressant; EC 1.4.3.4 (monoamine oxidase) inhibitor
spiperone Spiperone: A spiro butyrophenone analog similar to HALOPERIDOL and other related compounds. It has been recommended in the treatment of SCHIZOPHRENIA.. spiperone : An azaspiro compound that is 1,3,8-triazaspiro[4.5]decane which is substituted at positions 1, 4, and 8 by phenyl, oxo, and 4-(p-fluorophenyl)-4-oxobutyl groups, respectively.	2.08	1	aromatic ketone; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound	alpha-adrenergic antagonist; antipsychotic agent; dopaminergic antagonist; psychotropic drug; serotonergic antagonist
pilocarpine hydrochloride pilocarpine hydrochloride : The hydrochloride salt of (+)-pilocarpine, a medication used to treat increased pressure inside the eye and dry mouth.	2.08	1	hydrochloride
isatin tribulin: endogenous MONOAMINE OXIDASE inhibitory activity extractable into ethyl acetate found in brain and many mammalian tissues and fluids; ISATIN is a major component; produced in excess following alcohol withdrawal;	2.06	1	indoledione	EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite
rhein [no description available]	2.08	1	dihydroxyanthraquinone
bethanechol chloride bethanechol chloride : The chloride salt of bethanechol. A slowly hydrolysed muscarinic agonist with no nicotinic effects, it is used to increase smooth muscle tone, as in the gastrointestinal tract following abdominal surgery, treatment of gastro-oesophageal reflux disease, and as an alternative to catheterisation in the treatment of non-obstructive urinary retention.	2.08	1	carbamate ester; chloride salt; quaternary ammonium salt	muscarinic agonist
fluorescein-5-isothiocyanate Fluorescein-5-isothiocyanate: Fluorescent probe capable of being conjugated to tissue and proteins. It is used as a label in fluorescent antibody staining procedures as well as protein- and amino acid-binding techniques.. fluorescein 5-isothiocyanate : The 5-isomer of fluorescein isothiocyanate. Acts as a fluorescent probe capable of being conjugated to tissue and proteins; used as a label in fluorescent antibody staining procedures as well as protein- and amino acid-binding techniques.	2.11	1	fluorescein isothiocyanate
gold Gold: A yellow metallic element with the atomic symbol Au, atomic number 79, and atomic weight 197. It is used in jewelry, goldplating of other metals, as currency, and in dental restoration. Many of its clinical applications, such as ANTIRHEUMATIC AGENTS, are in the form of its salts.	2.5	2	copper group element atom; elemental gold
hypochlorous acid Hypochlorous Acid: An oxyacid of chlorine (HClO) containing monovalent chlorine that acts as an oxidizing or reducing agent.. hypochlorous acid : A chlorine oxoacid with formula HOCl; a weak, unstable acid, it is the active form of chlorine in water.	2.21	1	chlorine oxoacid; reactive oxygen species	EC 2.5.1.18 (glutathione transferase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; human metabolite
selegiline Selegiline: A selective, irreversible inhibitor of Type B monoamine oxidase that is used for the treatment of newly diagnosed patients with PARKINSON DISEASE, and for the treatment of depressive disorders. The compound without isomeric designation is Deprenyl.	2.06	1	selegiline; terminal acetylenic compound	geroprotector
n-(cyclohexylthio)phthalimide N-(cyclohexylthio)phthalimide: water pollutant	2.08	1
oxcarbazepine Oxcarbazepine: A carbamazepine derivative that acts as a voltage-gated sodium channel blocker. It is used for the treatment of PARTIAL SEIZURES with or without secondary generalization. It is also an inducer of CYTOCHROME P-450 CYP3A4.. oxcarbazepine : A dibenzoazepine derivative, having a carbamoyl group at the ring nitrogen, substituted with an oxo group at C-4 of the azepeine ring which is also hydrogenated at C-4 and C-5. It is a anticholinergic anticonvulsant and mood stabilizing drug, used primarily in the treatment of epilepsy.	2.08	1	cyclic ketone; dibenzoazepine	anticonvulsant; drug allergen
ergocornine ergocornine: a component of ergotoxine; minor descriptor (75-86); on-line & INDEX MEDICUS search ERGOLINES (75-86); RN given refers to ((5'alpha)-isomer). ergocornine : Ergotaman bearing a hydroxy group at the 12' position, isopropyl groups at the 2' and 5'alpha positions, and oxo groups at positions 3', 6', and 18. It is a natural ergot alkaloid.	2.08	1	ergot alkaloid
butyrylcholine chloride [no description available]	2.08	1
3-acetylcoumarin 3-acetylcoumarin: structure given in first source. 3-acetylcoumarin : A member of the class of coumarins that is coumarin in which the hydrogen at position 3 is replaced by an acetyl group.	2.06	1	coumarins
monopentyl phthalate monopentyl phthalate : A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of pentanol.	2.08	1	phthalic acid monoester	anti-estrogen; rat metabolite; xenobiotic metabolite
7-amino-4-trifluoromethylcoumarin coumarin 151: structure in first source	2.08	1	7-aminocoumarins	fluorochrome
coumarin 343 coumarin 343: structure in first source	2.08	1	7-aminocoumarins	fluorochrome
alpha-(n6-adenyl)styrene oxide alpha-(N6-adenyl)styrene oxide: structure given in first source; RN given refers to compound with no isomeric designation	2.08	1
2-[[2-[[4-(2-furanylmethyl)-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide [no description available]	2.08	1	aromatic amide; thiophenes
1-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-2-indolone [no description available]	2.08	1	aromatic ketone
6-ethyl-N-[2-(4-methoxyphenyl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine [no description available]	2.08	1	triazolopyrimidines
7-[2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-8-(propan-2-ylthio)purine-2,6-dione [no description available]	2.08	1	oxopurine
2-[[5-(1-benzotriazolylmethyl)-1,3,4-oxadiazol-2-yl]thio]-N-[(4-fluorophenyl)methyl]-N-phenylacetamide [no description available]	2.08	1	benzotriazoles
3-[(1-cyclopentyl-5-tetrazolyl)-[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-7-methyl-1H-quinolin-2-one [no description available]	2.08	1	piperazines
3-[[2-[[5-[(4-cyanophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester [no description available]	2.08	1	amidobenzoic acid
[5-(2-furanyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]-[4-(2-pyridinyl)-1-piperazinyl]methanone [no description available]	2.08	1	piperazines; pyridines
N-[2-[(3-cyano-6-ethoxy-2-quinolinyl)amino]ethyl]propanamide [no description available]	2.08	1	aminoquinoline
4-[3-(1,3-dioxo-2-isoindolyl)propylamino]-2-methylisoindole-1,3-dione [no description available]	2.08	1	phthalimides
9-[3-(4-acetyl-3,5-dimethyl-1-pyrazolyl)-2-hydroxypropyl]-6-methyl-3,4-dihydro-2H-carbazol-1-one [no description available]	2.08	1	carbazoles
1-phenyl-4-[[1-(phenylmethyl)-5-tetrazolyl]-(3-pyridinyl)methyl]piperazine [no description available]	2.08	1	piperazines
1-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-furanylmethyl)-3-phenylurea [no description available]	2.08	1	quinolines
N-(2-furanylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]benzamide [no description available]	2.08	1	sulfonamide
N-methyl-N-[5-(5-methyl-2-pyrazinyl)-1,3,4-thiadiazol-2-yl]-2-oxolanecarboxamide [no description available]	2.08	1	pyrazines
2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]thio]-3-ethyl-4-quinazolinone [no description available]	2.08	1	quinazolines
2-[[5-(4-methylphenyl)-3-thiazolo[2,3-c][1,2,4]triazolyl]thio]-N-(6-methyl-2-pyridinyl)acetamide [no description available]	2.08	1	organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
4-amino-N5-[2-(2-methoxyethylamino)-1-(5-methyl-2-furanyl)-2-oxoethyl]-N5-(thiophen-2-ylmethyl)isothiazole-3,5-dicarboxamide [no description available]	2.08	1	organonitrogen compound; organooxygen compound
pilocarpine nitrate [no description available]	2.08	1
5-(4-methoxyphenyl)-7-(4-methylphenyl)-1,7-dihydrotetrazolo[1,5-a]pyrimidine [no description available]	2.08	1	methoxybenzenes
cyclopropanecarboxylic acid [5-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-ethoxyphenyl] ester [no description available]	2.08	1	pyranopyrazole
2-cyano-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetic acid cyclohexyl ester [no description available]	2.08	1	quinoxaline derivative
2-(3-methylphenyl)sulfonyl-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetonitrile [no description available]	2.08	1	quinoxaline derivative
5-(3-methoxyphenyl)-N-(2-oxolanylmethyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide [no description available]	2.08	1	pyrimidines
2-(4-bromophenyl)-4-methyl-1H-pyrazol-5-one [no description available]	2.08	1	pyrazoles; ring assembly
2-[(4-fluoro-3-methylphenyl)sulfonylamino]acetic acid [no description available]	2.08	1	sulfonamide
4-(1H-benzimidazol-2-yl)quinoline [no description available]	2.08	1	quinolines
2-[[2-(5,6-dimethyl-1-benzimidazolyl)-1-oxoethyl]amino]benzoic acid methyl ester [no description available]	2.08	1	amidobenzoic acid
1-(4-ethylphenyl)-N-(3-pyridinylmethyl)methanamine [no description available]	2.08	1	aromatic amine
1-(4-ethoxyphenyl)-3-(6-quinoxalinyl)urea [no description available]	2.08	1	quinoxaline derivative
3-methyl-5-propyl-7-furo[3,2-g][1]benzopyranone [no description available]	2.08	1	psoralens
4-(1,3-benzothiazol-2-yl)-N-phenyl-1-piperazinecarboxamide [no description available]	2.08	1	N-arylpiperazine
2-[4-(pyridin-4-ylmethylsulfamoyl)phenoxy]acetic acid methyl ester [no description available]	2.08	1	monocarboxylic acid
7-methoxy-2-oxo-1-benzopyran-3-carboxylic acid ethyl ester [no description available]	2.06	1	coumarins
5-bromo-N-(pyridin-4-ylmethyl)-2-thiophenesulfonamide [no description available]	2.08	1	thiophenes
LSM-16463 [no description available]	2.08	1	pyrazoles; ring assembly
4-[2-(9-methyl-6-indolo[3,2-b]quinoxalinyl)ethyl]morpholine [no description available]	2.08	1	quinoxaline derivative
4-[[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid ethyl ester [no description available]	2.08	1	benzamides
5-(2,3-dihydroindol-1-ylsulfonyl)-1,3-diethyl-2-benzimidazolone [no description available]	2.08	1	benzimidazoles
N-[2-(4-acetyl-1-piperazinyl)phenyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide [no description available]	2.08	1	piperazines
N-(2-furanylmethyl)-2-imino-5-oxo-1-(2-phenylethyl)-3-dipyrido[1,2-d-3',4'-f]pyrimidinecarboxamide [no description available]	2.08	1	pyridopyrimidine
N-[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide [no description available]	2.08	1	aromatic amide
[2-(4-methoxyphenyl)-6-methyl-4-quinolinyl]-(4-morpholinyl)methanone [no description available]	2.08	1	quinolines
2-(2-furanyl)-5-methyl-6-(phenylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one [no description available]	2.08	1	triazolopyrimidines
3-acetyl-7-methoxycoumarin 3-acetyl-7-methoxycoumarin: structure in first source	2.06	1	coumarins
1-[4-[(2-amino-5-thiazolyl)methyl]phenyl]ethanone [no description available]	2.08	1	aromatic ketone
N-[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-benzofurancarboxamide [no description available]	2.08	1	aromatic amide; furans
2-(3,5-dimethylphenoxy)-N-[3-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide [no description available]	2.08	1	anilide
5-(2-furanyl)-N-[1-[(2-methylphenyl)methyl]-3-pyrazolyl]-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide [no description available]	2.08	1	pyrazolopyrimidine
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5,7-diphenyl-2-pyrazolo[1,5-a]pyrimidinyl)methanone [no description available]	2.08	1	pyrimidines
4-amino-2-[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]isoindole-1,3-dione [no description available]	2.08	1	phthalimides
N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetamide [no description available]	2.08	1	pyrazoles; ring assembly
2-(1-benzimidazolyl)acetic acid [2-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester [no description available]	2.08	1	alpha-amino acid ester
2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-phenylacetamide [no description available]	2.08	1	amino acid amide
6-amino-5-cyano-4-(2,4-dimethoxyphenyl)-2-(2-ethoxy-2-oxoethyl)-4H-pyran-3-carboxylic acid ethyl ester [no description available]	2.08	1	dimethoxybenzene
2-chloro-5-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]benzoic acid methyl ester [no description available]	2.08	1	amidobenzoic acid
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxy-4-propan-2-yloxybenzamide [no description available]	2.08	1	benzodioxine
3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine [no description available]	2.08	1	quinolines
benzoic acid [5-(6-benzamido-9-purinyl)-3-fluoro-4-hydroxy-2-oxolanyl]methyl ester [no description available]	2.08	1	3'-deoxyribonucleoside; purines
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid thiophen-2-ylmethyl ester [no description available]	2.08	1	benzoate ester
2-benzoyl-N-(6-methoxy-3-pyridinyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide [no description available]	2.08	1	isoquinolines
3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5-pyrimidinyl]-2-oxoethyl] ester [no description available]	2.08	1	pyrazoles; ring assembly
9-chloro-6-methylindolo[3,2-b]quinoxaline [no description available]	2.08	1	quinoxaline derivative
3-chloro-N-[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]benzamide [no description available]	2.08	1	piperazines
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide [no description available]	2.08	1	oxadiazole; ring assembly
2-cyclopentyl-4-[1,4-dioxa-8-azaspiro[4.5]decan-8-yl(oxo)methyl]-9-methyl-1-pyrido[3,4-b]indolone [no description available]	2.08	1	beta-carbolines
N-(3-chlorophenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-3-methyl-2-benzofurancarboxamide [no description available]	2.08	1	aromatic amide; furans
[4-[6-(4-morpholinyl)-3-pyridazinyl]-1-piperazinyl]-(2-pyridin-4-yl-4-quinolinyl)methanone [no description available]	2.08	1	quinolines
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-4-oxo-1-phthalazinyl)acetamide [no description available]	2.08	1	phthalazines
5-bromo-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-furancarboxamide [no description available]	2.08	1	quinolines
3-(2-chlorophenyl)-5-methyl-N-[3-(3-methyl-2-imidazo[1,2-a]pyrimidinyl)phenyl]-4-isoxazolecarboxamide [no description available]	2.08	1	aromatic amide
7-(5-chloro-2-methoxyanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one [no description available]	2.08	1	pyrrolopyridine
2-furanyl-[4-(4-tetrazolo[1,5-a]quinoxalinyl)-1-piperazinyl]methanone [no description available]	2.08	1	N-arylpiperazine
[4-(2-pyrimidinyl)-1-piperazinyl]-[1-[4-(2-pyrimidinyl)-1-piperazinyl]-4-isoquinolinyl]methanone [no description available]	2.08	1	piperazines; pyridines
N-[[4-(dimethylamino)phenyl]methyl]-3-ethyl-N-(2-furanylmethyl)-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxamide [no description available]	2.08	1	organic heterobicyclic compound; organonitrogen heterocyclic compound; organosulfur heterocyclic compound
N-(2,3-dimethylphenyl)-3-methyl-5-(4-morpholinylsulfonyl)-2-benzofurancarboxamide [no description available]	2.08	1	aromatic amide; furans
N-[(2-methyl-4-thiazolyl)methyl]-4-phenoxybenzenesulfonamide [no description available]	2.08	1	aromatic ether
4-[[3-[(2-furanylmethylamino)-oxomethyl]-7-methoxy-1-benzopyran-2-ylidene]amino]benzoic acid [no description available]	2.08	1	1-benzopyran
N-(2-furanylmethyl)-1-[2-(2-hydroxyethoxy)ethyl]-2-imino-10-methyl-5-oxo-3-dipyrido[3,4-c-1',2'-f]pyrimidinecarboxamide [no description available]	2.08	1	pyridopyrimidine
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-piperidinecarboxamide [no description available]	2.08	1	benzodioxine
4-[4-oxo-2-[[2-oxo-2-[(phenylmethyl)amino]ethyl]thio]-3-quinazolinyl]-1-piperidinecarboxylic acid ethyl ester [no description available]	2.08	1	quinazolines
8-(2-propoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one [no description available]	2.08	1	quinolines
N-[4-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-pyridinecarboxamide [no description available]	2.08	1	aromatic amide
3-(5,7-diphenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-propanol [no description available]	2.08	1	triazolopyrimidines
methysergide maleate [no description available]	2.08	1	ergoline alkaloid
morin morin: a light yellowish pigment found in the wood of old fustic (Chlorophora tinctoria). morin : A pentahydroxyflavone that is 7-hydroxyflavonol bearing three additional hydroxy substituents at positions 2' 4' and 5.	2.08	1	7-hydroxyflavonol; pentahydroxyflavone	angiogenesis modulating agent; anti-inflammatory agent; antibacterial agent; antihypertensive agent; antineoplastic agent; antioxidant; EC 5.99.1.2 (DNA topoisomerase) inhibitor; hepatoprotective agent; metabolite; neuroprotective agent
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine [no description available]	2.08	1	triazolopyrimidines
4-[[[2-(4-methoxyphenyl)-3-oxo-1H-isoindol-4-yl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester [no description available]	2.08	1	isoindoles
1,5-dimethyl-4-oxo-N-[2-(3-thiophenyl)ethyl]-2-pyrrolo[3,2-c]quinolinecarboxamide [no description available]	2.08	1	pyrroloquinoline
4-[[[1-[[2-(3-chlorophenyl)-5-methyl-4-oxazolyl]methyl]-3-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester [no description available]	2.08	1	1,3-oxazoles
1,5-dimethyl-4-oxo-N-[3-(4-propyl-1-piperazinyl)propyl]-2-pyrrolo[3,2-c]quinolinecarboxamide [no description available]	2.08	1	pyrroloquinoline
4-(4-tetrazolo[1,5-a]quinoxalinyl)morpholine [no description available]	2.08	1	quinoxaline derivative
alpha-cyano-4-hydroxycinnamic acid alpha-cyano-4-hydroxycinnamic acid : A monohydroxycinnamic acid that is 4-hydroxycinnamic acid in which the hydrogen alpha- to the carboxy group is replaced by a cyano group. It is used as a matrix in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry for the analysis of peptides and oligonucleotides.	2.08	1	monohydroxycinnamic acid; nitrile; phenols	MALDI matrix material
carbocyanines Carbocyanines: Compounds that contain three methine groups. They are frequently used as cationic dyes used for differential staining of biological materials.	2.05	1	cyanine dye; organic iodide salt	fluorochrome
1,2-dioleoyloxy-3-(trimethylammonium)propane 1,2-dioleoyloxy-3-(trimethylammonium)propane: fluorescent probe for phospholipids; RN & structure given in first source	2.04	1
g(m1) ganglioside G(M1) Ganglioside: A specific monosialoganglioside that accumulates abnormally within the nervous system due to a deficiency of GM1-b-galactosidase, resulting in GM1 gangliosidosis.. ganglioside GM1 : A sialotetraosylceramide consisting of a branched pentasaccharide made up from one sialyl residue, two galactose residues, one N-acetylgalactosamine residue and a glucose residue at the reducing end attached to N-stearoylsphingosine via a beta-linkage.	2.41	2	alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine; sialotetraosylceramide
4,4-difluoro-4-bora-3a,4a-diaza-s-indacene [no description available]	2.41	2	BODIPY compound
glycolipids [no description available]	2.04	1
warfarin Warfarin: An anticoagulant that acts by inhibiting the synthesis of vitamin K-dependent coagulation factors. Warfarin is indicated for the prophylaxis and/or treatment of venous thrombosis and its extension, pulmonary embolism, and atrial fibrillation with embolization. It is also used as an adjunct in the prophylaxis of systemic embolism after myocardial infarction. Warfarin is also used as a rodenticide.. warfarin : A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice.. 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one : A member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group.	3.91	12	benzenes; hydroxycoumarin; methyl ketone
amyloid beta-peptides amyloid beta-protein (1-40): although acutely neurotoxic in both rat & monkey cerebral cortex, neuronal degeneration in primates resembles more closely to that found in Alzheimer's disease; amino acid sequence has been determined	2.43	2
1-cyclopentyl-1-[(4-oxo-1H-quinazolin-2-yl)methyl]-3-(phenylmethyl)urea [no description available]	2.08	1	quinazolines
7-hydroxyquinoline 7-hydroxyquinoline: structure in first source. quinolin-7-ol : A monohydroxyquinoline carrying a hydroxy substituent at position 7.	2.08	1	monohydroxyquinoline
cyanine dye 3 cyanine dye 3: structures of Cy3 derivatives given in first source	2.05	1

Condition	Indicated	Relationship Strength	Studies	Trials
Acute Confusional Senile Dementia [description not available]	0	2.41	2	0
Alzheimer Disease A degenerative disease of the BRAIN characterized by the insidious onset of DEMENTIA. Impairment of MEMORY, judgment, attention span, and problem solving skills are followed by severe APRAXIAS and a global loss of cognitive abilities. The condition primarily occurs after age 60, and is marked pathologically by severe cortical atrophy and the triad of SENILE PLAQUES; NEUROFIBRILLARY TANGLES; and NEUROPIL THREADS. (From Adams et al., Principles of Neurology, 6th ed, pp1049-57)	0	2.41	2	0

7-diethylaminocoumarin-3-carboxylic acid

Cross-References

Synonyms (51)

Protein Targets (20)

Potency Measurements

Inhibition Measurements

Biological Processes (4)

Molecular Functions (5)

Ceullar Components (6)

Bioassays (39)

Research

Studies (18)

Market Indicators

Research Demand Index: 17.49

Study Types

7-diethylaminocoumarin-3-carboxylic acid

Cross-References

Synonyms (51)

Protein Targets (20)

Potency Measurements

Inhibition Measurements

Biological Processes (4)

Molecular Functions (5)

Ceullar Components (6)

Bioassays (39)

Research

Studies (18)

Market Indicators

Research Demand Index: 17.49

Study Types

Related Drugs (125)

Related Conditions (2)