Details of the Drug

General Information of Drug (ID: DM9LEGU)

Drug Name
LGD2941
Synonyms LGD2941; CHEMBL467888; SCHEMBL3015188; BDBM18522; DB05234; 6-(1-Pyrrolidine)quinolin-2(1H)-one, 6a
Indication
Disease Entry ICD 11 Status REF
Osteoporosis FB83.0 Discontinued in Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 394.31
Logarithm of the Partition Coefficient (xlogp) 3.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 9
ADMET Property
Absorption
The drug is orally available []
Chemical Identifiers
Formula
C17H16F6N2O2
IUPAC Name
6-[(2R,5R)-2-methyl-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
Canonical SMILES
C[C@@H]1CC[C@@H](N1C2=CC3=C(C=C2)NC(=O)C=C3C(F)(F)F)[C@H](C(F)(F)F)O
InChI
InChI=1S/C17H16F6N2O2/c1-8-2-5-13(15(27)17(21,22)23)25(8)9-3-4-12-10(6-9)11(16(18,19)20)7-14(26)24-12/h3-4,6-8,13,15,27H,2,5H2,1H3,(H,24,26)/t8-,13-,15-/m1/s1
InChIKey
HWLLYFXDDGGHOE-BCSUUIJWSA-N
Cross-matching ID
PubChem CID
16750192
DrugBank ID
DB05234
TTD ID
D03KTE

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Androgen receptor (AR) TTS64P2 ANDR_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Osteoporosis
ICD Disease Classification FB83.0
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Androgen receptor (AR) DTT AR 2.13E-01 -0.07 -0.11
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800013541)
2 Influence of testosterone and a novel SARM on gene expression in whole blood of Macaca fascicularis. J Steroid Biochem Mol Biol. 2009 Apr;114(3-5):167-73.