Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D08AAP
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| Former ID |
DNC008691
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| Drug Name |
NSC-75308
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| Synonyms |
NSC-75308; NSC75308; AC1O4U40; 5,6-dichloro-N-[(E)-[(4-methoxyphenyl)-phenylmethylidene]amino]pyridazin-4-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 |
C18H14Cl2N4O
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| Canonical SMILES |
COC1=CC=C(C=C1)C(=NNC2=CN=NC(=C2Cl)Cl)C3=CC=CC=C3
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| InChI |
1S/C18H14Cl2N4O/c1-25-14-9-7-13(8-10-14)17(12-5-3-2-4-6-12)23-22-15-11-21-24-18(20)16(15)19/h2-11H,1H3,(H,22,24)/b23-17+
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| InChIKey |
XOZNAUCJQWYKHM-HAVVHWLPSA-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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