GSK2881078   Click here for help

GtoPdb Ligand ID: 11151

Synonyms: GSK'078 | GSK-2881078
Compound class: Synthetic organic
Comment: GSK2881078 is an orally bioavailable, small molecule, nonsteroidal selective androgen receptor modulator (SARM). It was developed by GSK to treat age-related muscle atrophy (loss of skeletal muscle mass, quality, and strength) [1-2].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 71.24
Molecular weight 330.06
XLogP 3.4
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES N#Cc1ccc2c(c1C(F)(F)F)ccn2[C@@H](CS(=O)(=O)C)C
Isomeric SMILES N#Cc1ccc2c(c1C(F)(F)F)ccn2[C@@H](CS(=O)(=O)C)C
InChI InChI=1S/C14H13F3N2O2S/c1-9(8-22(2,20)21)19-6-5-11-12(19)4-3-10(7-18)13(11)14(15,16)17/h3-6,9H,8H2,1-2H3/t9-/m1/s1
InChI Key SKDVMPZQJMZEAC-SECBINFHSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-[(2R)-1-methylsulfonylpropan-2-yl]-4-(trifluoromethyl)indole-5-carbonitrile
Synonyms Click here for help
GSK'078 | GSK-2881078
Database Links Click here for help
BindingDB Ligand 332405
CAS Registry No. 1539314-06-1 (source: ChemIDplus)
GtoPdb PubChem SID 434122211
PubChem CID 86709174
Search Google for chemical match using the InChIKey SKDVMPZQJMZEAC-SECBINFHSA-N
Search Google for chemicals with the same backbone SKDVMPZQJMZEAC
Search UniChem for chemical match using the InChIKey SKDVMPZQJMZEAC-SECBINFHSA-N
Search UniChem for chemicals with the same backbone SKDVMPZQJMZEAC