Drug Information
Drug General Information | Top | |||
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Drug ID |
D0C3XU
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Former ID |
DNC010809
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Drug Name |
10-EPI-8-DEOXY-CUMAMBRIN B
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Synonyms |
10-Epi-8-deoxy-cumambrin B; CHEMBL1099308
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Drug Type |
Small molecular drug
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL |
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Formula |
C14H18O2
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Canonical SMILES |
CC1=CCC2C1C3C(CCC2)C(=C)C(=O)O3
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InChI |
1S/C14H18O2/c1-8-6-7-10-4-3-5-11-9(2)14(15)16-13(11)12(8)10/h6,10-13H,2-5,7H2,1H3/t10-,11+,12+,13+/m1/s1
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InChIKey |
PFGQZVWFUUWHOT-VOAKCMCISA-N
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PubChem Compound ID |
Target and Pathway | Top | |||
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Target(s) | Aromatase (CYP19A1) | Target Info | Inhibitor | [1] |
BioCyc | Superpathway of steroid hormone biosynthesis | |||
Estradiol biosynthesis II | ||||
Estradiol biosynthesis I | ||||
KEGG Pathway | Steroid hormone biosynthesis | |||
Metabolic pathways | ||||
Ovarian steroidogenesis | ||||
NetPath Pathway | FSH Signaling Pathway | |||
Panther Pathway | Androgen/estrogene/progesterone biosynthesis | |||
Pathwhiz Pathway | Androgen and Estrogen Metabolism | |||
Reactome | Endogenous sterols | |||
WikiPathways | Metapathway biotransformation | |||
Tryptophan metabolism | ||||
Oxidation by Cytochrome P450 | ||||
Ovarian Infertility Genes | ||||
Metabolism of steroid hormones and vitamin D | ||||
FSH signaling pathway | ||||
Integrated Breast Cancer Pathway | ||||
Phase 1 - Functionalization of compounds |
References | Top | |||
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REF 1 | Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19). Bioorg Med Chem Lett. 2010 May 15;20(10):3050-64. |
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