Drug General Information
Drug ID
Former ID
Drug Name
Drug Type
Small molecular drug
Indication Discovery agent Investigative [467481]


PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Neuraminidase Target Info Inhibitor [530357]
Casein kinase II, alpha chain Target Info Inhibitor [530101]
Aldose reductase Target Info Inhibitor [529340]
Cytochrome P450 1B1 Target Info Inhibitor [531094]
Cytochrome P450 19 Target Info Inhibitor [530867]
mRNA of androgen receptor Target Info Inhibitor [530256]
Cyclin-dependent protein kinase Pfmrk Target Info Inhibitor [527246]
Cell division protein kinase 6 Target Info Inhibitor [527422]
Estradiol 17 beta-dehydrogenase 1 Target Info Inhibitor [529519]
BioCyc Pathway Methylglyoxal degradation III
Acetone degradation I (to methylglyoxal)PWY66-401:Superpathway of tryptophan utilization
Superpathway of melatonin degradation
Melatonin degradation IPWY-7305:Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis II
Estradiol biosynthesis IPWY-7305:Superpathway of steroid hormone biosynthesis
Estradiol biosynthesis I
KEGG Pathway Other glycan degradationhsa03008:Ribosome biogenesis in eukaryotes
NF-kappa B signaling pathway
Wnt signaling pathway
Adherens junction
Tight junction
Herpes simplex infection
Epstein-Barr virus infectionhsa00040:Pentose and glucuronate interconversions
Fructose and mannose metabolism
Galactose metabolism
Glycerolipid metabolism
Metabolic pathwayshsa00140:Steroid hormone biosynthesis
Tryptophan metabolism
Metabolism of xenobiotics by cytochrome P450
Ovarian steroidogenesis
Chemical carcinogenesis
MicroRNAs in cancerhsa00140:Steroid hormone biosynthesis
Metabolic pathways
Ovarian steroidogenesishsa04114:Oocyte meiosis
Pathways in cancer
Prostate cancerhsa04110:Cell cycle
p53 signaling pathway
PI3K-Akt signaling pathway
Hepatitis B
Viral carcinogenesis
MicroRNAs in cancer
Pancreatic cancer
Chronic myeloid leukemia
Small cell lung cancer
Non-small cell lung cancerhsa00140:Steroid hormone biosynthesis
NetPath Pathway FSH Signaling PathwayNetPath_13:IL1 Signaling Pathway
TGF_beta_Receptor Signaling PathwayNetPath_23:TSH Signaling Pathway
IL4 Signaling Pathway
TGF_beta_Receptor Signaling PathwayNetPath_25:FSH Signaling PathwayNetPath_4:EGFR1 Signaling Pathway
AndrogenReceptor Signaling Pathway
FSH Signaling PathwayNetPath_7:TGF_beta_Receptor Signaling PathwayNetPath_25:FSH Signaling Pathway
PANTHER Pathway Androgen/estrogene/progesterone biosynthesisP02727:Androgen/estrogene/progesterone biosynthesis
Pathway Interaction Database BCR signaling pathway
Atypical NF-kappaB pathway
DNA-PK pathway in nonhomologous end joining
Presenilin action in Notch and Wnt signaling
Role of Calcineurin-dependent NFAT signaling in lymphocytes
E-cadherin signaling in the nascent adherens junction
Lissencephaly gene (LIS1) in neuronal migration and development
PDGFR-alpha signaling pathway
Signaling mediated by p38-alpha and p38-beta
Alpha-synuclein signalingsmad2_3nuclearpathway:Regulation of nuclear SMAD2/3 signaling
Coregulation of Androgen receptor activity
Regulation of Androgen receptor activity
Nongenotropic Androgen signaling
Regulation of nuclear beta catenin signaling and target gene transcription
FOXA1 transcription factor network
Notch-mediated HES/HEY networkp73pathway:p73 transcription factor network
C-MYB transcription factor network
IL2 signaling events mediated by STAT5
Regulation of retinoblastoma protein
PathWhiz Pathway Fructose and Mannose Degradation
Pyruvate Metabolism
Pterine Biosynthesis
Glycerolipid Metabolism
Galactose MetabolismPW000045:Androgen and Estrogen MetabolismPW000045:Androgen and Estrogen Metabolism
Reactome Condensation of Prometaphase ChromosomesR-HSA-211976:Endogenous sterolsR-HSA-211976:Endogenous sterolsR-HSA-383280:Nuclear Receptor transcription pathway
Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3R-HSA-2559580:Oxidative Stress Induced Senescence
Senescence-Associated Secretory Phenotype (SASP)
Oncogene Induced Senescence
Cyclin D associated events in G1R-HSA-2453902:The canonical retinoid cycle in rods (twilight vision)
WikiPathways Mitotic Prometaphase
BDNF signaling pathway
TNF alpha Signaling Pathway
L1CAM interactionsWP702:Metapathway biotransformation
Polyol Pathway
Metabolism of steroid hormones and vitamin DWP702:Metapathway biotransformation
Estrogen metabolism
Benzo(a)pyrene metabolism
Tamoxifen metabolism
Tryptophan metabolism
Oxidation by Cytochrome P450
Nuclear Receptors Meta-Pathway
Estrogen Receptor Pathway
Sulindac Metabolic Pathway
Arylhydrocarbon receptor (AhR) signaling pathway
miR-targeted genes in muscle cell - TarBase
miR-targeted genes in lymphocytes - TarBase
miR-targeted genes in epithelium - TarBase
miR-targeted genes in adipocytes - TarBase
Phase 1 - Functionalization of compoundsWP702:Metapathway biotransformation
Ovarian Infertility Genes
Metabolism of steroid hormones and vitamin D
FSH signaling pathway
Integrated Breast Cancer Pathway
Phase 1 - Functionalization of compoundsWP706:SIDS Susceptibility Pathways
Integrated Pancreatic Cancer Pathway
Prostate Cancer
Nuclear Receptors
Androgen receptor signaling pathwayWP707:DNA Damage Response
G1 to S cell cycle control
Wnt Signaling Pathway Netpath
Retinoblastoma (RB) in Cancer
Signaling Pathways in Glioblastoma
Metastatic brain tumor
miR-targeted genes in leukocytes - TarBase
Mitotic G1-G1/S phases
Cell Cycle
miRNAs involved in DNA damage response
miRNA Regulation of DNA Damage ResponseWP496:Steroid Biosynthesis
Ref 467481(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4136).
Ref 527246J Med Chem. 2004 Oct 21;47(22):5418-26.A three-dimensional in silico pharmacophore model for inhibition of Plasmodium falciparum cyclin-dependent kinases and discovery of different classes of novel Pfmrk specific inhibitors.
Ref 527422J Med Chem. 2005 Feb 10;48(3):737-43.Crystal structure of a human cyclin-dependent kinase 6 complex with a flavonol inhibitor, fisetin.
Ref 529340J Nat Prod. 2008 Apr;71(4):713-5. Epub 2008 Feb 26.Erigeroflavanone, a flavanone derivative from the flowers of Erigeron annuus with protein glycation and aldose reductase inhibitory activity.
Ref 529519J Med Chem. 2008 Jul 24;51(14):4188-99. Epub 2008 Jun 6.Discovery of nonsteroidal 17beta-hydroxysteroid dehydrogenase 1 inhibitors by pharmacophore-based screening of virtual compound libraries.
Ref 530101Bioorg Med Chem Lett. 2009 Jun 1;19(11):2920-3. Epub 2009 Apr 22.Structural insight into human CK2alpha in complex with the potent inhibitor ellagic acid.
Ref 530256Bioorg Med Chem Lett. 2009 Aug 15;19(16):4706-10. Epub 2009 Jun 23.Effect of flavonoids on androgen and glucocorticoid receptors based on in vitro reporter gene assay.
Ref 530357Bioorg Med Chem. 2009 Oct 1;17(19):6816-23. Epub 2009 Aug 21.Neuraminidase inhibitory activities of flavonols isolated from Rhodiola rosea roots and their in vitro anti-influenza viral activities.
Ref 530867Bioorg Med Chem Lett. 2010 May 15;20(10):3050-64. Epub 2010 Apr 8.Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19).
Ref 531094Bioorg Med Chem. 2010 Sep 1;18(17):6310-5. Epub 2010 Jul 13.Selective inhibition of methoxyflavonoids on human CYP1B1 activity.

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