Details of the Drug

General Information of Drug (ID: DMWKDET)

Drug Name
US8829193, 1
Synonyms SCHEMBL2691319; CHEMBL3676258; BDBM131728; US8829193, 1
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 415.5
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C20H19F2N5OS
IUPAC Name
N-[4-[(3S)-3-aminopiperidin-1-yl]pyridin-3-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
Canonical SMILES
C1C[C@@H](CN(C1)C2=C(C=NC=C2)NC(=O)C3=CSC(=N3)C4=C(C=CC=C4F)F)N
InChI
InChI=1S/C20H19F2N5OS/c21-13-4-1-5-14(22)18(13)20-26-16(11-29-20)19(28)25-15-9-24-7-6-17(15)27-8-2-3-12(23)10-27/h1,4-7,9,11-12H,2-3,8,10,23H2,(H,25,28)/t12-/m0/s1
InChIKey
DRSGGAHSPDXOOW-LBPRGKRZSA-N
Cross-matching ID
PubChem CID
51002052
TTD ID
D0P9UF

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 PIM kinase inhibitors and methods of their use. US8829193.