Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0M8RO
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| Former ID |
DNC003121
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| Drug Name |
4-ANDROSTENE-3-17-DIONE
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| Synonyms |
Androstenedione; androstenedione; 4-Androstene-3,17-dione; Androst-4-ene-3,17-dione; 1963/5/8; 4-Androstenedione; Androtex; 3,17-Dioxoandrost-4-ene; delta-4-Androstenedione; SKF 2170; Fecundin; delta-4-Androsten-3,17-dione; delta-4-Androstene-3,17-dione; Androstendione; 4-Androsten-3,17-dione; NSC 9563; delta-(sup4)-Androsten-3,17-dione; delta(sup 4)-Androstene-3,17-dione; UNII-409J2J96VR; 17-Ketotestosterone; d4-androstenedione; CHEBI:16422; Androstenedione [JAN]; HSDB 7335; EINECS 200-554-5; MLS000028510; NSC9563; ANDROSTENEDIONE
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2], [3] | |
| Structure |
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Download2D MOL |
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| Formula |
C19H26O2
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| Canonical SMILES |
CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4=O)C
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| InChI |
1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
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| InChIKey |
AEMFNILZOJDQLW-QAGGRKNESA-N
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| CAS Number |
CAS 63-05-8
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| PubChem Compound ID | ||||
| PubChem Substance ID |
3575, 75016, 598429, 831360, 841441, 855972, 3162127, 7847119, 7885977, 8145630, 8153839, 14775551, 15962866, 17389251, 17389252, 17404677, 22400337, 24278247, 24702267, 24869681, 25621509, 26751578, 29215020, 29225131, 46508011, 47736685, 48035332, 48422859, 48424700, 48424701, 49856256, 50104208, 50362263, 53777220, 53790644, 56354941, 56354943, 56435876, 56436206, 56436633, 57323206, 57391483, 57650669, 71850513, 85148334, 85267761, 85279313, 92297726, 92303593, 92710448
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| ChEBI ID |
CHEBI:16422
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| References | Top | |||
|---|---|---|---|---|
| REF 1 | The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. | |||
| REF 2 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | |||
| REF 3 | URL: 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: 2860). | |||
| REF 4 | Synthesis of androst-5-en-7-ones and androsta-3,5-dien-7-ones and their related 7-deoxy analogs as conformational and catalytic probes for the acti... J Med Chem. 1994 Jul 8;37(14):2198-205. | |||
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