Details of the Drug

General Information of Drug (ID: DM6Z01B)

Drug Name
US9434725, 285
Synonyms SCHEMBL15400185; CHEMBL3891387; BDBM249054; US9434725, 285
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 401.5
Logarithm of the Partition Coefficient (xlogp) 1.5
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C21H23N9
IUPAC Name
N-ethyl-6-[1-(6-piperazin-1-ylpyridin-2-yl)pyrazolo[4,3-c]pyridin-6-yl]pyrazin-2-amine
Canonical SMILES
CCNC1=NC(=CN=C1)C2=NC=C3C=NN(C3=C2)C4=NC(=CC=C4)N5CCNCC5
InChI
InChI=1S/C21H23N9/c1-2-24-19-14-23-13-17(27-19)16-10-18-15(11-25-16)12-26-30(18)21-5-3-4-20(28-21)29-8-6-22-7-9-29/h3-5,10-14,22H,2,6-9H2,1H3,(H,24,27)
InChIKey
XXIAOEADCPRWAT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
89914090
ChEBI ID
CHEMBL3891387
TTD ID
D0JL8G
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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 5-azaindazole compounds and methods of use. US9434725.