Details of the Drug

General Information of Drug (ID: DMGH9B3)

Drug Name
US9580418, Example 8
Synonyms N-{4-[(3R,4R,5S)-3-Amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-7-morpholin-4-yl-1,5-naphthyridine-2-carboxamide; SCHEMBL17420252; US9580418, Example 8; SSNIKHVUFVVWIH-XSSDXNQZSA-N; BDBM291186
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 463.5
Logarithm of the Partition Coefficient (xlogp) 0.3
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C24H29N7O3
IUPAC Name
N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl]-7-morpholin-4-yl-1,5-naphthyridine-2-carboxamide
Canonical SMILES
C[C@H]1CN(C[C@H]([C@@H]1O)N)C2=C(C=NC=C2)NC(=O)C3=NC4=C(C=C3)N=CC(=C4)N5CCOCC5
InChI
InChI=1S/C24H29N7O3/c1-15-13-31(14-17(25)23(15)32)22-4-5-26-12-21(22)29-24(33)19-3-2-18-20(28-19)10-16(11-27-18)30-6-8-34-9-7-30/h2-5,10-12,15,17,23,32H,6-9,13-14,25H2,1H3,(H,29,33)/t15-,17+,23+/m0/s1
InChIKey
SSNIKHVUFVVWIH-XSSDXNQZSA-N
Cross-matching ID
PubChem CID
118646834
TTD ID
D05ZQI

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
PIM-3 protein kinase (PIM3) TTCGOIN PIM3_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
PIM-3 protein kinase (PIM3) DTT PIM3 7.86E-06 0.78 3.44
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Bicyclic aromatic carboxamide compounds useful as Pim kinase inhibitors. US9580418.