Details of the Drug

General Information of Drug (ID: DM5ZGK3)

Drug Name
US8829193, 3
Synonyms SCHEMBL2693572; CHEMBL3676260; BDBM131730; US8829193, 3
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 433.5
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C20H18F3N5OS
IUPAC Name
N-[4-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]pyridin-3-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
Canonical SMILES
C1CN(C[C@H]([C@@H]1F)N)C2=C(C=NC=C2)NC(=O)C3=CSC(=N3)C4=C(C=CC=C4F)F
InChI
InChI=1S/C20H18F3N5OS/c21-11-5-7-28(9-14(11)24)17-4-6-25-8-15(17)26-19(29)16-10-30-20(27-16)18-12(22)2-1-3-13(18)23/h1-4,6,8,10-11,14H,5,7,9,24H2,(H,26,29)/t11-,14-/m1/s1
InChIKey
QQRNXNZMTIFVNK-BXUZGUMPSA-N
Cross-matching ID
PubChem CID
59455638
TTD ID
D04MCF

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.