6VW

(8~{R},9~{S},10~{R},13~{S},14~{S},17~{S})-13-methyl-17-oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1~{H}-cyclop enta[a]phenanthren-3-one

Created:	2016-07-06
Last modified:	2020-06-05

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1 entries where 6VW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	6
Bond Count	49
Aromatic Bond Count	0

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Chemical Component Summary
Name	(8~{R},9~{S},10~{R},13~{S},14~{S},17~{S})-13-methyl-17-oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1~{H}-cyclop enta[a]phenanthren-3-one
Synonyms	19-nortestosterone
Systematic Name (OpenEye OEToolkits)	(8~{R},9~{S},10~{R},13~{S},14~{S},17~{S})-13-methyl-17-oxidanyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-one
Formula	C₁₈ H₂₆ O₂
Molecular Weight	274.398
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[C]12CC[CH]3[CH](CCC4=CC(=O)CC[CH]34)[CH]1CC[CH]2O
SMILES	OpenEye OEToolkits	2.0.5	CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34
Canonical SMILES	CACTVS	3.385	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O
Canonical SMILES	OpenEye OEToolkits	2.0.5	C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@H]34
InChI	InChI	1.03	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
InChIKey	InChI	1.03	NPAGDVCDWIYMMC-IZPLOLCNSA-N

Drug Info: DrugBank

DrugBank ID	DB13169
Name	Nandrolone
Groups	investigational experimental
Description	Nandrolone, also known as 19-nortestosterone or 19-norandrostenolone, is a synthetic anabolic-androgenic steroid (AAS) derived from testosterone.
Synonyms	19-nortestosterone (17β)-17-hydroxyestr-4-en-3-one Nandrolone 19-norandrostenolone Nandrolona Nandrolonum
Categories	Alimentary Tract and Metabolism Anabolic Agents Anabolic Agents for Systemic Use Anabolic Steroids Androgens Estranes Estren Derivatives Estrenes Fused-Ring Compounds Gonadal Hormones Gonadal Steroid Hormones Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Nandrolone and esters Ophthalmologicals Sensory Organs Steroids Testosterone Congeners Thyroxine-binding globulin inhibitors
ATC-Code	S01XA11 A14AB01
CAS number	434-22-0

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Androgen receptor	MEVQLGLGRVYPRPPSKTYRGAFQNLFQSVREVIQNPGPRHPEAASAAPP...	unknown	agonist

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682