methyltrienolone   Click here for help

GtoPdb Ligand ID: 2857

Synonyms: R1881
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 37.3
Molecular weight 284.18
XLogP 2.44
No. Lipinski's rules broken 0
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Canonical SMILES O=C1CCC2=C3C=CC4(C(C3CCC2=C1)CCC4(C)O)C
Isomeric SMILES O=C1CCC2=C3C=C[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@]4(C)O)C
InChI InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
2180 metribolone
Synonyms Click here for help
Database Links Click here for help
CAS Registry No. 965-93-5 (source: Scifinder)
ChEMBL Ligand CHEMBL166444
DrugBank Ligand DB02998
GtoPdb PubChem SID 135650595
PubChem CID 261000
RCSB PDB Ligand R18
Search Google for chemical match using the InChIKey CCCIJQPRIXGQOE-XWSJACJDSA-N
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Search PubMed clinical trials metribolone
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Search PubMed titles/abstracts metribolone
SynPHARM 14314 (in complex with Androgen receptor)
UniChem Compound Search for chemical match using the InChIKey CCCIJQPRIXGQOE-XWSJACJDSA-N
UniChem Connectivity Search for chemical match using the InChIKey CCCIJQPRIXGQOE-XWSJACJDSA-N
Wikipedia Methyltrienolone