Details of the Drug

General Information of Drug (ID: DMDOFE7)

Drug Name
PSN357
Synonyms SCHEMBL2607197
Indication
Disease Entry ICD 11 Status REF
Type-2 diabetes 5A11 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 501
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C25H30ClFN6O2
IUPAC Name
5-chloro-N-[(2S)-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
Canonical SMILES
CN(C)CCN1CCN(CC1)C(=O)[C@H](CC2=CC=C(C=C2)F)NC(=O)C3=CC4=CC(=NC=C4N3)Cl
InChI
InChI=1S/C25H30ClFN6O2/c1-31(2)7-8-32-9-11-33(12-10-32)25(35)21(13-17-3-5-19(27)6-4-17)30-24(34)20-14-18-15-23(26)28-16-22(18)29-20/h3-6,14-16,21,29H,7-13H2,1-2H3,(H,30,34)/t21-/m0/s1
InChIKey
RDFYSUFNGGYNSK-NRFANRHFSA-N
Cross-matching ID
PubChem CID
56603686
DrugBank ID
DB05044
TTD ID
D0P7WJ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Myophosphorylase (PYGM) TT31JXP PYGM_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction 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 800021020)
2 PhRMA