hecogenin profile

Hecogenin is a steroidal sapogenin found in various plants, particularly in the Agave species. It is known for its potential medicinal properties, including anti-inflammatory, anti-cancer, and cholesterol-lowering effects. Hecogenin is of interest to researchers due to its unique structure and biological activities. Its biosynthesis involves a complex pathway within the plant, starting from cholesterol and undergoing several enzymatic modifications. Current research aims to understand the mechanisms behind hecogenin's effects and to develop potential therapeutic applications for this compound.'

hecogenin: steroidal sapogenin which has been isolated from plants particularly from numerous Agave species; used in prep of steroidal hormones; structure; RN given refers to (3beta,5alpha,25R)-isomer [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Related Flora

Flora	Rank	Flora Definition	Family	Family Definition
Agave	genus	A genus known for fibers obtained from their leaves: sisal from A. sisalana, henequen from A. fourcroyoides and A. cantala, or Manila-Maguey fiber from A. cantala. Some species provide a sap that is fermented to an intoxicating drink, called pulque in Mexico. Some contain agavesides.[MeSH]	Asparagaceae	A family of flowering subshrubs and shrubs in the class Magnoliopsida.[MeSH]

ID Source	ID
PubMed CID	91453
CHEMBL ID	3185544
CHEBI ID	5633
SCHEMBL ID	329538
MeSH ID	M0051380

Synonym
AC-1713
BPBIO1_000726
cas-467-55-0
NCGC00016448-01
BSPBIO_000660
PRESTWICK3_000730
NCGC00179484-01
hocogenin
nsc-115921
hecogenin
467-55-0
AB00513905
C08902
(25r)-3b-hydroxy-5a-spirostan-12-one
(25r)-12-oxo-spirostan-3beta-ol
(25r)-3beta-hydroxy-5alpha-spirostan-12-one
LMST01080014
dtxsid7045310 ,
dtxcid5025310
tox21_110443
einecs 207-392-4
nsc 115921
spirostan-12-one, 3-hydroxy-, (3beta,5alpha,25r)-
(22r,25r)-3beta-hydroxy-5alpha-spirostan-12-one
5alpha-spirostan-12-one, 3beta-hydroxy-, (25r)-
3xp44jj79f ,
unii-3xp44jj79f
3-beta-hydroxy-5-alpha-spirostan-12-one
AKOS015965583
spirostan-12-one,3-hydroxy-, (3b,5a,25r)-
S5336
25(r)-3.beta.-hydroxyspirostan-12-one
hekogenin
(+)-hecogenin
gekogenin
12-oxotigogenin
hecogenin [mi]
spirostan-12-one, 3-hydroxy-, (3.beta.,5.alpha.,25r)-
SCHEMBL329538
tox21_110443_1
NCGC00178811-03
CHEBI:5633 ,
spirostan-12-one, 3-hydroxy-, (3b,5a,25r)-
CHEMBL3185544
(3beta,5alpha,25r)-3-hydroxyspirostan-12-one
mfcd00067285
HY-N1422
(1r,2s,4s,5'r,6r,7s,8r,9s,12s,13s,16s,18s)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
CS-0016852
(3beta,5alpha,25r)-spirostan-3-ol-12-one
QOLRLLFJMZLYQJ-LOBDNJQFSA-N
Q5893392
MS-27662
A872232

Excerpt	Reference	Relevance
"Hecogenin is a steroidal sapogenin isolated from the leaves of Agave genus species that plays an important role in the treatment of a variety of inflammatory diseases. "	( Hecogenin exhibits anti-arthritic activity in rats through suppression of pro-inflammatory cytokines in Complete Freund's adjuvant-induced arthritis. Ingawale, DK; Patel, SS, 2018)	3.37
"Hecogenin is a steroidal sapogenin plays important role in treatment of variety of inflammatory diseases. "	( Anti-Inﬂammatory Potential of Hecogenin in Experimental Animals: Possible Involvement of Inflammatory Cytokines and Myeloperoxidase. Ingawale, DK; Patel, SS, 2016)	2.17

Excerpt	Reference	Relevance
"The hecogenin pretreatment normalized GSH levels and significantly reduced lipid peroxidation and nitrite levels in the stomach, as evaluated by the ethanol-induced gastric lesion model."	( Effects of hecogenin and its possible mechanism of action on experimental models of gastric ulcer in mice. Arcanjo Moura, B; Barbosa Filho, JM; de Almeida Leal, LK; de Barros Viana, GS; de Castro Brito, GA; dos Santos e Silva, G; Fragoso de Freitas, AP; Lopes Souto, A; Rios Vasconcelos, E; Santos Cerqueira, G; Silveira Macedo, D; Souccar, C, 2012)	1.25

Excerpt	Reference	Relevance
"The ATP-binding cassette transporter P-glycoprotein (P-gp) is known to limit both brain penetration and oral bioavailability of many chemotherapy drugs."	( A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Ambudkar, SV; Brimacombe, KR; Chen, L; Gottesman, MM; Guha, R; Hall, MD; Klumpp-Thomas, C; Lee, OW; Lee, TD; Lusvarghi, S; Robey, RW; Shen, M; Tebase, BG, 2019)	0.51

Class	Description
triterpenoid	Any terpenoid derived from a triterpene. The term includes compounds in which the C30 skeleton of the parent triterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups).
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
cytochrome P450 family 3 subfamily A polypeptide 4	Homo sapiens (human)	Potency	0.9772	0.0123	7.9835	43.2770	AID1645841
estrogen nuclear receptor alpha	Homo sapiens (human)	Potency	1.8156	0.0002	29.3054	16,493.5996	AID743075
vitamin D (1,25- dihydroxyvitamin D3) receptor	Homo sapiens (human)	Potency	1.3332	0.0237	23.2282	63.5986	AID743222
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (58)

Assay ID	Title	Year	Journal	Article
AID1296008	Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening	2020	SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1	Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1346987	P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1346986	P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347092	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347091	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347425	Rhodamine-PBP qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)	2019	The Journal of biological chemistry, 11-15, Volume: 294, Issue:46	Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347154	Primary screen GU AMC qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347100	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347103	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347108	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347106	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347407	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Pharmaceutical Collection	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347101	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347105	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347097	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347095	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347107	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347424	RapidFire Mass Spectrometry qHTS Assay for Modulators of WT P53-Induced Phosphatase 1 (WIP1)	2019	The Journal of biological chemistry, 11-15, Volume: 294, Issue:46	Physiologically relevant orthogonal assays for the discovery of small-molecule modulators of WIP1 phosphatase in high-throughput screens.
AID1347093	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347089	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508630	Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay	2021	Cell reports, 04-27, Volume: 35, Issue:4	A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347090	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347083	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347102	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347086	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347094	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347098	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347096	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347099	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347104	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347082	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID1366631	Antiproliferative activity against human SKBR3 cells after 72 hrs by MTT assay	2017	Bioorganic & medicinal chemistry, 12-15, Volume: 25, Issue:24	Rationally designed hecogenin thiosemicarbazone analogs as novel MEK inhibitors for the control of breast malignancies.
AID1366646	Antiinvasive activity against human MDA-MB-231 cells at 80 uM after 24 hrs by cell invasion assay relative to control	2017	Bioorganic & medicinal chemistry, 12-15, Volume: 25, Issue:24	Rationally designed hecogenin thiosemicarbazone analogs as novel MEK inhibitors for the control of breast malignancies.
AID1366647	Antiinvasive activity against human MDA-MB-231 cells after 24 hrs by cell invasion assay	2017	Bioorganic & medicinal chemistry, 12-15, Volume: 25, Issue:24	Rationally designed hecogenin thiosemicarbazone analogs as novel MEK inhibitors for the control of breast malignancies.
AID1366628	Antiproliferative activity against human MDA-MB-231 cells after 72 hrs by MTT assay	2017	Bioorganic & medicinal chemistry, 12-15, Volume: 25, Issue:24	Rationally designed hecogenin thiosemicarbazone analogs as novel MEK inhibitors for the control of breast malignancies.
AID1366648	Inhibition of MEK phosphorylation in human MDA-MB-231 cell lysate at 1.5 to 4 uM after 72 hrs by Western blot analysis	2017	Bioorganic & medicinal chemistry, 12-15, Volume: 25, Issue:24	Rationally designed hecogenin thiosemicarbazone analogs as novel MEK inhibitors for the control of breast malignancies.
AID1366629	Antiproliferative activity against human T47D cells after 72 hrs by MTT assay	2017	Bioorganic & medicinal chemistry, 12-15, Volume: 25, Issue:24	Rationally designed hecogenin thiosemicarbazone analogs as novel MEK inhibitors for the control of breast malignancies.
AID1366637	Cytotoxicity against human MDA-MB-231 cells at 75 uM after 24 hrs by LDH release assay (Rvb = 100%)	2017	Bioorganic & medicinal chemistry, 12-15, Volume: 25, Issue:24	Rationally designed hecogenin thiosemicarbazone analogs as novel MEK inhibitors for the control of breast malignancies.
AID1366643	Antimigratory activity against human MDA-MB-231 cells at 10 to 80 uM after 24 hrs by scratch wound-healing assay	2017	Bioorganic & medicinal chemistry, 12-15, Volume: 25, Issue:24	Rationally designed hecogenin thiosemicarbazone analogs as novel MEK inhibitors for the control of breast malignancies.
AID1366652	Inhibition of MEK in human MDA-MB-231 cell lysate assessed as reduction in MSK phosphorylation at 1.5 to 4 uM after 72 hrs by Western blot analysis	2017	Bioorganic & medicinal chemistry, 12-15, Volume: 25, Issue:24	Rationally designed hecogenin thiosemicarbazone analogs as novel MEK inhibitors for the control of breast malignancies.
AID1709415	Antiproliferative activity against human HT-29 cells assessed as reduction in cell viability after 48 hrs by MTT assay	2021	Bioorganic & medicinal chemistry, 05-01, Volume: 37	Synthesis and evaluation of novel thiosemicarbazone and semicarbazone analogs with both anti-proliferative and anti-metastatic activities against triple negative breast cancer.
AID1709412	Antiproliferative activity against human MCF7 cells assessed as reduction in cell viability after 48 hrs by MTT assay	2021	Bioorganic & medicinal chemistry, 05-01, Volume: 37	Synthesis and evaluation of novel thiosemicarbazone and semicarbazone analogs with both anti-proliferative and anti-metastatic activities against triple negative breast cancer.
AID1366626	Antiproliferative activity against human MCF7 cells after 72 hrs by MTT assay	2017	Bioorganic & medicinal chemistry, 12-15, Volume: 25, Issue:24	Rationally designed hecogenin thiosemicarbazone analogs as novel MEK inhibitors for the control of breast malignancies.
AID1366630	Antiproliferative activity against human BT474 cells after 72 hrs by MTT assay	2017	Bioorganic & medicinal chemistry, 12-15, Volume: 25, Issue:24	Rationally designed hecogenin thiosemicarbazone analogs as novel MEK inhibitors for the control of breast malignancies.
AID1366636	Cytotoxicity against human MDA-MB-231 cells at 50 uM after 24 hrs by LDH release assay (Rvb = 100%)	2017	Bioorganic & medicinal chemistry, 12-15, Volume: 25, Issue:24	Rationally designed hecogenin thiosemicarbazone analogs as novel MEK inhibitors for the control of breast malignancies.
AID1366649	Antitumor activity against human GFP-fused MDA-MB-231 cells xenografted in Foxn1nu/Foxn1+ mouse assessed as tumor growth inhibition at 10 mg/kg, ip administered 3 times per week for 28 days relative to control	2017	Bioorganic & medicinal chemistry, 12-15, Volume: 25, Issue:24	Rationally designed hecogenin thiosemicarbazone analogs as novel MEK inhibitors for the control of breast malignancies.
AID1709414	Antiproliferative activity against human A549 cells assessed as reduction in cell viability after 48 hrs by MTT assay	2021	Bioorganic & medicinal chemistry, 05-01, Volume: 37	Synthesis and evaluation of novel thiosemicarbazone and semicarbazone analogs with both anti-proliferative and anti-metastatic activities against triple negative breast cancer.
AID1709413	Antiproliferative activity against human MDA-MB-231 cells assessed as reduction in cell viability after 48 hrs by MTT assay	2021	Bioorganic & medicinal chemistry, 05-01, Volume: 37	Synthesis and evaluation of novel thiosemicarbazone and semicarbazone analogs with both anti-proliferative and anti-metastatic activities against triple negative breast cancer.
AID1366638	Cytotoxicity against human MDA-MB-231 cells at 100 uM after 24 hrs by LDH release assay (Rvb = 100%)	2017	Bioorganic & medicinal chemistry, 12-15, Volume: 25, Issue:24	Rationally designed hecogenin thiosemicarbazone analogs as novel MEK inhibitors for the control of breast malignancies.
AID1366635	Cytotoxicity against human MDA-MB-231 cells at 25 uM after 24 hrs by LDH release assay (Rvb = 100%)	2017	Bioorganic & medicinal chemistry, 12-15, Volume: 25, Issue:24	Rationally designed hecogenin thiosemicarbazone analogs as novel MEK inhibitors for the control of breast malignancies.
AID1366650	Toxicity in Foxn1nu/Foxn1+ mouse xenografted with human GFP-fused MDA-MB-231 cells assessed as reduction in body weight at 10 mg/kg, ip administered 3 times per week for 28 days relative to control	2017	Bioorganic & medicinal chemistry, 12-15, Volume: 25, Issue:24	Rationally designed hecogenin thiosemicarbazone analogs as novel MEK inhibitors for the control of breast malignancies.
AID1366651	Inhibition of MEK in human MDA-MB-231 cell lysate assessed as reduction in MAPK phosphorylation at 1.5 to 4 uM after 72 hrs by Western blot analysis	2017	Bioorganic & medicinal chemistry, 12-15, Volume: 25, Issue:24	Rationally designed hecogenin thiosemicarbazone analogs as novel MEK inhibitors for the control of breast malignancies.
AID1366627	Antiproliferative activity against human MDA-MB-468 cells after 72 hrs by MTT assay	2017	Bioorganic & medicinal chemistry, 12-15, Volume: 25, Issue:24	Rationally designed hecogenin thiosemicarbazone analogs as novel MEK inhibitors for the control of breast malignancies.
AID1366633	Cytotoxicity against human MDA-MB-231 cells at 100 uM after 24 hrs by LDH release assay relative to control	2017	Bioorganic & medicinal chemistry, 12-15, Volume: 25, Issue:24	Rationally designed hecogenin thiosemicarbazone analogs as novel MEK inhibitors for the control of breast malignancies.
AID1709416	Cytotoxicity against human HUVEC cells assessed as reduction in cell viability after 48 hrs by MTT assay	2021	Bioorganic & medicinal chemistry, 05-01, Volume: 37	Synthesis and evaluation of novel thiosemicarbazone and semicarbazone analogs with both anti-proliferative and anti-metastatic activities against triple negative breast cancer.
AID1159550	Human Phosphogluconate dehydrogenase (6PGD) Inhibitor Screening	2015	Nature cell biology, Nov, Volume: 17, Issue:11	6-Phosphogluconate dehydrogenase links oxidative PPP, lipogenesis and tumour growth by inhibiting LKB1-AMPK signalling.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	3 (6.82)	18.7374
1990's	2 (4.55)	18.2507
2000's	10 (22.73)	29.6817
2010's	19 (43.18)	24.3611
2020's	10 (22.73)	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	2 (4.55%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	42 (95.45%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
acetone methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H).	2.13	1	ketone body; methyl ketone; propanones; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent
hydrochloric acid Hydrochloric Acid: A strong corrosive acid that is commonly used as a laboratory reagent. It is formed by dissolving hydrogen chloride in water. GASTRIC ACID is the hydrochloric acid component of GASTRIC JUICE.. hydrogen chloride : A mononuclear parent hydride consisting of covalently bonded hydrogen and chlorine atoms.	2.07	1	chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride	mouse metabolite
diacetyl butane-2,3-dione : An alpha-diketone that is butane substituted by oxo groups at positions 2 and 3. It is a metabolite produced during the malolactic fermentation.	2.05	1	alpha-diketone	Escherichia coli metabolite; Saccharomyces cerevisiae metabolite
amitriptyline Amitriptyline: Tricyclic antidepressant with anticholinergic and sedative properties. It appears to prevent the re-uptake of norepinephrine and serotonin at nerve terminals, thus potentiating the action of these neurotransmitters. Amitriptyline also appears to antagonize cholinergic and alpha-1 adrenergic responses to bioactive amines.. amitriptyline : An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(dimethylamino)propylidene group at position 5.	2.05	1	carbotricyclic compound; tertiary amine	adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic
anastrozole [no description available]	2.08	1	nitrile; triazoles	antineoplastic agent; EC 1.14.14.14 (aromatase) inhibitor
clomipramine Clomipramine: A tricyclic antidepressant similar to IMIPRAMINE that selectively inhibits the uptake of serotonin in the brain. It is readily absorbed from the gastrointestinal tract and demethylated in the liver to form its primary active metabolite, desmethylclomipramine.. clomipramine : A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine which is substituted by chlorine at position 3 and in which the hydrogen attached to the nitrogen is replaced by a 3-(dimethylamino)propyl group. One of the more sedating tricyclic antidepressants, it is used as the hydrochloride salt for the treatment of depression as well as obsessive-compulsive disorder and phobias.	2.05	1	dibenzoazepine	anticoronaviral agent; antidepressant; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; serotonergic antagonist; serotonergic drug; serotonin uptake inhibitor
dapi DAPI: RN given refers to parent cpd.	2.05	1	indoles	fluorochrome
diclofenac Diclofenac: A non-steroidal anti-inflammatory agent (NSAID) with antipyretic and analgesic actions. It is primarily available as the sodium salt.. diclofenac : A monocarboxylic acid consisting of phenylacetic acid having a (2,6-dichlorophenyl)amino group at the 2-position.	2.04	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
valproic acid Valproic Acid: A fatty acid with anticonvulsant and anti-manic properties that is used in the treatment of EPILEPSY and BIPOLAR DISORDER. The mechanisms of its therapeutic actions are not well understood. It may act by increasing GAMMA-AMINOBUTYRIC ACID levels in the brain or by altering the properties of VOLTAGE-GATED SODIUM CHANNELS.. valproic acid : A branched-chain saturated fatty acid that comprises of a propyl substituent on a pentanoic acid stem.	2.03	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
fluconazole Fluconazole: Triazole antifungal agent that is used to treat oropharyngeal CANDIDIASIS and cryptococcal MENINGITIS in AIDS.. fluconazole : A member of the class of triazoles that is propan-2-ol substituted at position 1 and 3 by 1H-1,2,4-triazol-1-yl groups and at position 2 by a 2,4-difluorophenyl group. It is an antifungal drug used for the treatment of mucosal candidiasis and for systemic infections including systemic candidiasis, coccidioidomycosis, and cryptococcosis.	2.03	1	conazole antifungal drug; difluorobenzene; tertiary alcohol; triazole antifungal drug	environmental contaminant; P450 inhibitor; xenobiotic
imipramine Imipramine: The prototypical tricyclic antidepressant. It has been used in major depression, dysthymia, bipolar depression, attention-deficit disorders, agoraphobia, and panic disorders. It has less sedative effect than some other members of this therapeutic group.. imipramine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)propyl group at the nitrogen atom.	2.05	1	dibenzoazepine	adrenergic uptake inhibitor; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
indomethacin Indomethacin: A non-steroidal anti-inflammatory agent (NSAID) that inhibits CYCLOOXYGENASE, which is necessary for the formation of PROSTAGLANDINS and other AUTACOIDS. It also inhibits the motility of POLYMORPHONUCLEAR LEUKOCYTES.. indometacin : A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis.	2.07	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
lamotrigine [no description available]	2.46	2	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
midazolam Midazolam: A short-acting hypnotic-sedative drug with anxiolytic and amnestic properties. It is used in dentistry, cardiac surgery, endoscopic procedures, as preanesthetic medication, and as an adjunct to local anesthesia. The short duration and cardiorespiratory stability makes it useful in poor-risk, elderly, and cardiac patients. It is water-soluble at pH less than 4 and lipid-soluble at physiological pH.. midazolam : An imidazobenzodiazepine that is 4H-imidazo[1,5-a][1,4]benzodiazepine which is substituted by a methyl, 2-fluorophenyl and chloro groups at positions 1, 6 and 8, respectively.	2.04	1	imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	anticonvulsant; antineoplastic agent; anxiolytic drug; apoptosis inducer; central nervous system depressant; GABAA receptor agonist; general anaesthetic; muscle relaxant; sedative
trimipramine Trimipramine: Tricyclic antidepressant similar to IMIPRAMINE, but with more antihistaminic and sedative properties.. trimipramine : A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)-2-methylpropyl group at the nitrogen atom. It is used as an antidepressant.	2.05	1	dibenzoazepine; tertiary amino compound	antidepressant; environmental contaminant; xenobiotic
acetic anhydride acetic anhydride: RN given refers to unlabeled cpd; structure. acetic anhydride : An acyclic carboxylic anhydride derived from acetic acid.	2.07	1	acyclic carboxylic anhydride	metabolite; reagent
nonane iotrochotin: toxin from the Caribbean sponge Iotrochota birotulata, which selectively permeabilizes synaptosomes. nonane : A straight chain alkane composed of 9 carbon atoms.	7.11	1	alkane	plant metabolite; volatile oil component
cyclopentane Cyclopentanes: A group of alicyclic hydrocarbons with the general formula R-C5H9.. cyclopentanes : Cyclopentane and its derivatives formed by substitution.	2.07	1	cycloalkane; cyclopentanes; volatile organic compound	non-polar solvent
pyrazines Pyrazines: A heterocyclic aromatic organic compound with the chemical formula C4H4N2.. pyrazine : A diazine that is benzene in which the carbon atoms at positions 1 and 4 have been replaced by nitrogen atoms.	2.11	1	diazine; pyrazines	Daphnia magna metabolite
hydrazine diamine : Any polyamine that contains two amino groups.	2.05	1	azane; hydrazines	EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
trinitrobenzenesulfonic acid Trinitrobenzenesulfonic Acid: A reagent that is used to neutralize peptide terminal amino groups.. 2,4,6-trinitrobenzenesulfonic acid : The arenesulfonic acid that is benzenesulfonic acid with three nitro substituents in the 2-, 4- and 6-positions.	2.31	1	arenesulfonic acid; C-nitro compound	epitope; explosive; reagent
cyclopentenone 2-cyclopenten-1-one : An enone that is cyclopentanone having a C=C double bond at position 2.	2.07	1	alicyclic ketone; enone	Hsp70 inducer
uridine diphosphate glucuronic acid Uridine Diphosphate Glucuronic Acid: A nucleoside diphosphate sugar which serves as a source of glucuronic acid for polysaccharide biosynthesis. It may also be epimerized to UDP iduronic acid, which donates iduronic acid to polysaccharides. In animals, UDP glucuronic acid is used for formation of many glucosiduronides with various aglycones.. UDP-alpha-D-glucuronic acid : A UDP-sugar having alpha-D-glucuronic acid as the sugar component.	2.04	1	UDP-D-glucuronic acid	Escherichia coli metabolite; human metabolite; mouse metabolite
acetylglucosamine Acetylglucosamine: The N-acetyl derivative of glucosamine.. N-acetyl-beta-D-glucosamine : An N-acetyl-D-glucosamine having beta-configuration at the anomeric centre.	2.07	1	N-acetyl-D-glucosamine	epitope
hexamethyldisiloxane dimethicone: a linear silicone; an ingredient of SIMETHICONE; lotion of dimeticone in a volatile silicone base has been used to treat LICE	2.01	1	organosiloxane
alkenes [no description available]	2.01	1
zidovudine Zidovudine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by an azido group. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA during reverse transcription. It improves immunologic function, partially reverses the HIV-induced neurological dysfunction, and improves certain other clinical abnormalities associated with AIDS. Its principal toxic effect is dose-dependent suppression of bone marrow, resulting in anemia and leukopenia.. zidovudine : A pyrimidine 2',3'-dideoxyribonucleoside compound having a 3'-azido substituent and thymine as the nucleobase.	2.03	1	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
triazoles Triazoles: Heterocyclic compounds containing a five-membered ring with two carbon atoms and three nitrogen atoms with the molecular formula C2H3N3.. triazoles : An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms.	2.08	1	1,2,3-triazole
nicotine (S)-nicotine : A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum.	2.05	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
sarsasapogenin [no description available]	3.28	6	sapogenin
glucuronic acid Glucuronic Acid: A sugar acid formed by the oxidation of the C-6 carbon of GLUCOSE. In addition to being a key intermediate metabolite of the uronic acid pathway, glucuronic acid also plays a role in the detoxification of certain drugs and toxins by conjugating with them to form GLUCURONIDES.. D-glucuronic acid : The D-enantiomer of glucuronic acid.. D-glucopyranuronic acid : A D-glucuronic acid in cyclic pyranose form.	2.05	1	D-glucuronic acid	algal metabolite
diosgenin [no description available]	3.3	6	3beta-sterol; hexacyclic triterpenoid; sapogenin; spiroketal	antineoplastic agent; antiviral agent; apoptosis inducer; metabolite
hecogenin acetate hecogenin acetate: structure in first source	2.11	1	triterpenoid
1-hydroxymethylmidazolam 1-hydroxymethylmidazolam: metabolite of midazolam. 1-hydroxymidazolam : An imidazobenzodiazepine that is midazolam in which one of the hydrogens of the methyl group is substituted by a hydroxy group. It is the major metabolite of the anesthetic, midazolam.	2.04	1	aromatic primary alcohol; imidazobenzodiazepine; monofluorobenzenes; organochlorine compound	drug metabolite; human blood serum metabolite; human urinary metabolite
n-benzoylphenylalanylphenylalinol acetate N-benzoylphenylalanylphenylalinol acetate: metabolite of Aspergillus glaucus	1.99	1	amphetamines
abiraterone [no description available]	2.25	1	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; pyridines	antineoplastic agent; EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor
lamotrigine 2-n-glucuronide lamotrigine 2-N-glucuronide: structure given in first source; major metabolite of lamotrigine	2.03	1
gitogenin gitogenin: an alpha-glucosidase inhibitor	2.05	1	triterpenoid
e-z cinnamic acid cinnamic acid : A monocarboxylic acid that consists of acrylic acid bearing a phenyl substituent at the 3-position. It is found in Cinnamomum cassia.. trans-cinnamic acid : The E (trans) isomer of cinnamic acid	2.02	1	cinnamic acid	plant metabolite
resveratrol trans-resveratrol : A resveratrol in which the double bond has E configuration.	2.02	1	resveratrol	antioxidant; phytoalexin; plant metabolite; quorum sensing inhibitor; radical scavenger
glycosides [no description available]	7.44	2
stilbenes Stilbenes: Organic compounds that contain 1,2-diphenylethylene as a functional group.. trans-stilbene : The trans-isomer of stilbene.	2.02	1	stilbene
senecionine senecionine: RN given refers to parent cpd; structure. senecionine : A pyrrolizidine alkaloid isolated from the plant species of the genus Senecio.	2.05	1	lactone; pyrrolizidine alkaloid; tertiary alcohol	plant metabolite
fluticasone Fluticasone: A STEROID with GLUCOCORTICOID RECEPTOR activity that is used to manage the symptoms of ASTHMA; ALLERGIC RHINITIS, and ATOPIC DERMATITIS.. fluticasone : A trifluorinated corticosteroid used in the form of its propionate ester for treatment of allergic rhinitis.	7.59	2	11beta-hydroxy steroid; 17alpha-hydroxy steroid; 3-oxo-Delta(4) steroid; corticosteroid; fluorinated steroid; thioester	anti-allergic agent; anti-asthmatic drug
stigmast-4-ene-3,6-dione [no description available]	1.99	1	steroid
phosphorus pentoxide phosphorus pentoxide: drying agent for bacterial cultural extracts analyzed by gas-liquid chromatography; structure. diphosphonate(2-) : A divalent inorganic anion obtained by removal of both protons from diphosphonic acid.	2.01	1
beta-escin [no description available]	4.11	4
mocetinostat mocetinostat: undergoing phase II clinical trials for treatment of cancer. mocetinostat : A benzamide obtained by formal condensation of the carboxy group of 4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an orally active and isotype-selective HDAC inhibitor which exhibits antitumour activity (IC50 = 0.15, 0.29, 1.66 and 0.59 muM for HDAC1, HDAC2, HDAC3 and HDAC11).	2.13	1	aminopyrimidine; benzamides; pyridines; secondary amino compound; secondary carboxamide; substituted aniline	antineoplastic agent; apoptosis inducer; autophagy inducer; cardioprotective agent; EC 3.5.1.98 (histone deacetylase) inhibitor; hepatotoxic agent
hippuristanol hippuristanol: from the gorgonian Isis hippuris	7.05	1
phytosterols Phytosterols: A class of organic compounds known as sterols or STEROIDS derived from plants.. phytosterols : Sterols similar to cholesterol which occur in plants and vary only in carbon side chains and/or presence or absence of a double bond.	2.43	2
sapogenins Sapogenins: The aglucon moiety of a saponin molecule. It may be triterpenoid or steroid, usually spirostan, in nature.	6	34
cephalostatin i cephalostatin I: two steroid units are annulated to a 1,4-pyrazine ring; RN given for (3'R-(3'alpha(R),4'alpha,4'abeta,6'balpha,8'abeta,11'aalpha,11'bbeta,13'alpha,13'aalpha,13'bbeta,14'beta,15'alpha(3R,5''S),16'abeta,17'balpha,19'abeta,22'aalpha,22'bbeta,24'aR'*))-isomer; structure in first source	2.48	2

Condition	Relationship Strength	Studies
Benign Neoplasms [description not available]	3.48	2
Neoplasms New abnormal growth of tissue. Malignant neoplasms show a greater degree of anaplasia and have the properties of invasion and metastasis, compared to benign neoplasms.	3.48	2
Breast Cancer [description not available]	2.49	2
Experimental Mammary Neoplasms [description not available]	2.15	1
Breast Neoplasms Tumors or cancer of the human BREAST.	2.49	2
Congenital Zika Syndrome [description not available]	2.25	1
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	2.82	3
Zika Virus Infection A viral disease transmitted by the bite of AEDES mosquitoes infected with ZIKA VIRUS. Its mild DENGUE-like symptoms include fever, rash, headaches and ARTHRALGIA. The viral infection during pregnancy, in rare cases, is associated with congenital brain and ocular abnormalities, called Congenital Zika Syndrome, including MICROCEPHALY and may also lead to GUILLAIN-BARRE SYNDROME.	2.25	1
ER-Negative PR-Negative HER2-Negative Breast Cancer [description not available]	2.31	1
Triple Negative Breast Neoplasms Breast neoplasms that do not express ESTROGEN RECEPTORS; PROGESTERONE RECEPTORS; and do not overexpress the NEU RECEPTOR/HER-2 PROTO-ONCOGENE PROTEIN.	2.31	1
Colitis Gravis [description not available]	2.31	1
Colitis, Ulcerative Inflammation of the COLON that is predominantly confined to the MUCOSA. Its major symptoms include DIARRHEA, rectal BLEEDING, the passage of MUCUS, and ABDOMINAL PAIN.	2.31	1
Adjuvant Arthritis [description not available]	2.17	1
Cancer of Colon [description not available]	2.13	1
Colonic Neoplasms Tumors or cancer of the COLON.	2.13	1
Body Weight The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms.	2.13	1
Innate Inflammatory Response [description not available]	2.44	2
Inflammation A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.	2.44	2
Carcinoma, Anaplastic [description not available]	2.05	1
Cancer of Lung [description not available]	2.05	1
Colorectal Cancer [description not available]	2.05	1
Carcinoma A malignant neoplasm made up of epithelial cells tending to infiltrate the surrounding tissues and give rise to metastases. It is a histological type of neoplasm and not a synonym for cancer.	2.05	1
Lung Neoplasms Tumors or cancer of the LUNG.	2.05	1
Colorectal Neoplasms Tumors or cancer of the COLON or the RECTUM or both. Risk factors for colorectal cancer include chronic ULCERATIVE COLITIS; FAMILIAL POLYPOSIS COLI; exposure to ASBESTOS; and irradiation of the CERVIX UTERI.	2.05	1
Cancer of Cervix [description not available]	2.05	1
Uterine Cervical Neoplasms Tumors or cancer of the UTERINE CERVIX.	2.05	1
Gastric Ulcer [description not available]	7.42	2
Stomach Ulcer Ulceration of the GASTRIC MUCOSA due to contact with GASTRIC JUICE. It is often associated with HELICOBACTER PYLORI infection or consumption of nonsteroidal anti-inflammatory drugs (NSAIDS).	2.42	2
Osteogenic Sarcoma [description not available]	2.01	1
Osteosarcoma A sarcoma originating in bone-forming cells, affecting the ends of long bones. It is the most common and most malignant of sarcomas of the bones, and occurs chiefly among 10- to 25-year-old youths. (From Stedman, 25th ed)	7.01	1
Leukemia L 1210 [description not available]	2.02	1
Leukemia P388 An experimental lymphocytic leukemia originally induced in DBA/2 mice by painting with methylcholanthrene.	2.02	1
Rheumatoid Arthritis [description not available]	7.03	1
Arthritis, Rheumatoid A chronic systemic disease, primarily of the joints, marked by inflammatory changes in the synovial membranes and articular structures, widespread fibrinoid degeneration of the collagen fibers in mesenchymal tissues, and by atrophy and rarefaction of bony structures. Etiology is unknown, but autoimmune mechanisms have been implicated.	2.03	1
Anasarca [description not available]	1.99	1
Edema Abnormal fluid accumulation in TISSUES or body cavities. Most cases of edema are present under the SKIN in SUBCUTANEOUS TISSUE.	1.99	1

hecogenin

Description

Cross-References

Synonyms (54)

Research Excerpts

Overview

Treatment

Bioavailability

Drug Classes (1)

Protein Targets (3)

Potency Measurements

Bioassays (58)

Research

Studies (44)

Market Indicators

Research Demand Index: 36.08

Study Types

hecogenin

Description

Related Flora

Cross-References

Synonyms (54)

Research Excerpts

Overview

Treatment

Bioavailability

Drug Classes (1)

Protein Targets (3)

Potency Measurements

Bioassays (58)

Research

Studies (44)

Market Indicators

Research Demand Index: 36.08

Study Types

Related Drugs (52)

Related Conditions (36)