Details of the Drug

General Information of Drug (ID: DMM8IDC)

Drug Name
BDBM50061612
Synonyms CHEMBL3394168; SCHEMBL12614651; BDBM50061612
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 377.5
Logarithm of the Partition Coefficient (xlogp) 4
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C20H19N5OS
IUPAC Name
5-[3-(6-cyclopentyloxypyridin-2-yl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
Canonical SMILES
C1CCC(C1)OC2=CC=CC(=N2)C3=CNC4=C3C=C(C=C4)C5=NN=C(S5)N
InChI
InChI=1S/C20H19N5OS/c21-20-25-24-19(27-20)12-8-9-16-14(10-12)15(11-22-16)17-6-3-7-18(23-17)26-13-4-1-2-5-13/h3,6-11,13,22H,1-2,4-5H2,(H2,21,25)
InChIKey
PNAYFCPGKVJMMN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
68327881
TTD ID
D08JUU

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 Azole compounds as PIM inhibitors. US9321756.