andarine   

GtoPdb Ligand ID: 7849

Synonyms: GTX-007 | GTX007
Compound class: Synthetic organic
Comment: Andarine is a nonsteroidal selective androgen receptor modulator, with agonist activity [1], via interaction with the orthosteric pocket of the receptor.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 130.8
Molecular weight 441.11
XLogP 2.25
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CC(=O)Nc1ccc(cc1)OCC(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])(O)C
Isomeric SMILES CC(=O)Nc1ccc(cc1)OC[C@@](C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])(O)C
InChI InChI=1S/C19H18F3N3O6/c1-11(26)23-12-3-6-14(7-4-12)31-10-18(2,28)17(27)24-13-5-8-16(25(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1
InChI Key YVXVTLGIDOACBJ-SFHVURJKSA-N
Classification
Compound class Synthetic organic
IUPAC Name
(2S)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
Synonyms
GTX-007 | GTX007
Database Links
CAS Registry No. 401900-40-1
ChEMBL Ligand CHEMBL125236
GtoPdb PubChem SID 223366179
PubChem CID 9824562
RCSB PDB Ligand B68
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SynPHARM 80692 (in complex with Androgen receptor)
Wikipedia Andarine