Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D07IQG
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| Former ID |
DNC004437
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| Drug Name |
4-Bromo-1-imidazol-1-ylmethyl-xanthen-9-one
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| Synonyms |
CHEMBL78322; 331684-13-0; 4-Bromo-1-imidazol-1-ylmethyl-xanthen-9-one; CTK1B8690; DTXSID70440555; BDBM50097370; AKOS030562752; 1-(imidazol-1-ylmethyl)-4-bromo-9h-9-xanthenone; 1-(1H-Imidazole-1-ylmethyl)-4-bromo-9H-xanthene-9-one; 9H-Xanthen-9-one, 4-bromo-1-(1H-imidazol-1-ylmethyl)-
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C17H11BrN2O2
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| Canonical SMILES |
C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3O2)Br)CN4C=CN=C4
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| InChI |
1S/C17H11BrN2O2/c18-13-6-5-11(9-20-8-7-19-10-20)15-16(21)12-3-1-2-4-14(12)22-17(13)15/h1-8,10H,9H2
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| InChIKey |
FSWPWGQUEZXZFV-UHFFFAOYSA-N
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| CAS Number |
CAS 331684-13-0
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Aromatase (CYP19A1) | Target Info | Inhibitor | [1] |
| Steroid 17-alpha-monooxygenase (S17AH) | Target Info | Inhibitor | [1] | |
| BioCyc | Superpathway of steroid hormone biosynthesis | |||
| Estradiol biosynthesis II | ||||
| Estradiol biosynthesis I | ||||
| Glucocorticoid biosynthesis | ||||
| Androgen biosynthesis | ||||
| KEGG Pathway | Steroid hormone biosynthesis | |||
| Metabolic pathways | ||||
| Ovarian steroidogenesis | ||||
| Prolactin signaling pathway | ||||
| NetPath Pathway | FSH Signaling Pathway | |||
| Panther Pathway | Androgen/estrogene/progesterone biosynthesis | |||
| Pathwhiz Pathway | Androgen and Estrogen Metabolism | |||
| Steroidogenesis | ||||
| Reactome | Endogenous sterols | |||
| Androgen biosynthesis | ||||
| Glucocorticoid biosynthesis | ||||
| 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 | ||||
| Steroid Biosynthesis | ||||
| Glucocorticoid & Mineralcorticoid Metabolism | ||||
| Prostate Cancer | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | A new class of nonsteroidal aromatase inhibitors: design and synthesis of chromone and xanthone derivatives and inhibition of the P450 enzymes aromatase and 17 alpha-hydroxylase/C17,20-lyase. J Med Chem. 2001 Mar 1;44(5):672-80. | |||
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