General Information of the Compound
Compound ID
CP0059244
Compound Name
(17beta)-17-hydroxyestr-4-en-3-one
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Synonyms
(17-beta)-17-Hydroxyestr-4-en-3-one
(17beta)-17-hydroxyestr-4-en-3-one
(8R,9S,10R,13S,14S,17S)-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
17-Hydroxy-Estr-4-Ene-3-One
17-beta-Hydroestr-4-en-3-one
17beta-Hydroxy-19-nor-4-androsten-3-one
17beta-Hydroxy-19-norandrost-4-en-3-one
17beta-Hydroxy-4-estren-3-one
17beta-hydroxy-19-nor-4-androsten-3-one
17beta-hydroxy-4-estren-3-one
17beta-hydroxyestr-4-en-3-one
19-Norandrostenolone
19-Nortestosterone
4-Estren-17beta-ol-3-one
4-estren-17beta-ol-3-one
Decadura
Decadura (TN)
Durabolin (TN)
Estr-4-en-3-one, 17-hydroxy-, (17-beta)-(9CI)
Estr-4-en-3-one, 17-hydroxy-, (17beta)-(9CI)
Estr-4-en-3-one, 17beta-hydroxy-(8CI)
Estrenolone
LT03330030
Menidrabol
Nadrolone
Nandrolon
Nandrolona
Nandrolona [INN-Spanish]
Nandrolone
Nandrolone (INN)
Nandrolonum
Nandrolonum [INN-Latin]
Norandrostenolon;Norandrostenolone
Nortestonate
Nortestosterone
Nortestosteronum
Oestrenolon
U 2410
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Structure
Formula
C18H26O2
Molecular Weight
274.404
Canonical SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O
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InChI
InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1
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InChIKey
NPAGDVCDWIYMMC-IZPLOLCNSA-N
CAS
434-22-0
Physicochemical Property
logP
3.4891
Rotatable Bonds
0
Heavy Atom Count
20
Polar Areas
37.3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
20

"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).

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PubChem ID
CID: 9904
SID: 14771089
ChEMBL ID
CHEMBL757
DrugBank ID
DB13169
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 73.1 nM
   TI
   LI
   LO
   TS
Protein ID: PT03795, Solute carrier family 22 member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 35100 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Nandrolone )
Drug Name Nandrolone
Company Aspen Global Inc
Indication
Osteoporosis
Approved
Target(s)
Androgen receptor (AR)
Agonist