Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D00ZPJ
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| Former ID |
DNC008687
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| Drug Name |
NSC-12999
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| Synonyms |
CHEMBL495567; NSC-12999; AC1L8UK1; ZINC4366490; BDBM50265443; 6-chloro-2-methoxy-N-pyridin-3-ylacridin-9-amine; 6-chloro-2-methoxy-N-(3-pyridyl)acridin-9-amine
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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 |
C19H14ClN3O
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| Canonical SMILES |
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC4=CN=CC=C4
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| InChI |
1S/C19H14ClN3O/c1-24-14-5-7-17-16(10-14)19(22-13-3-2-8-21-11-13)15-6-4-12(20)9-18(15)23-17/h2-11H,1H3,(H,22,23)
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| InChIKey |
LUUDYHCKONVRQY-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| 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 | |||
|---|---|---|---|---|
| REF 1 | Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors. J Med Chem. 2009 Jan 8;52(1):143-50. | |||
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