General Information of the Compound
| Compound ID |
CP0038806
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| Compound Name |
Androst-4-en-3,17-dione, 2
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| Synonyms |
17-Ketotestosterone
1963/5/8
3,17-Dioxoandrost-4-ene
4-ANDROSTENE-3-17-DIONE
4-Androsten-3,17-dione
4-Androstene-3,17-dione
4-Androstenedione
ANDROSTENEDIONE
Androst-4-ene-3,17-dione
Androstendione
Androstenedione
Androstenedione [JAN]
Androtex
CHEBI:16422
EINECS 200-554-5
Fecundin
HSDB 7335
MLS000028510
NSC 9563
NSC9563
SKF 2170
UNII-409J2J96VR
androstenedione
d4-androstenedione
delta(sup 4)-Androstene-3,17-dione
delta-(sup4)-Androsten-3,17-dione
delta-4-Androsten-3,17-dione
delta-4-Androstene-3,17-dione
delta-4-Androstenedione
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| Structure |
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| Formula |
C19H26O2
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| Molecular Weight |
286.415
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
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| InChI |
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 |
63-05-8
104534-78-3
117598-81-9
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound
Drug 1 ( 4-ANDROSTENE-3-17-DIONE )
| Drug Name | 4-ANDROSTENE-3-17-DIONE | ||
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| Target(s) |
Dihydrodiol dehydrogenase type I (AKR1C3)
Inhibitor
Aromatase (CYP19A1)
Inhibitor
Estradiol 17 beta-dehydrogenase 1 (17-beta-HSD1)
Inhibitor
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