General Information of Drug (ID: DM5W0A2)

Drug Name
US8481586, 5
Synonyms CHEMBL573176; SCHEMBL844935; BDBM50299248; US8481586, 5; 1,10-Dihydropyrrolo[2,3-a]carbazole-3-carboxamide
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 249.27
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C15H11N3O
IUPAC Name
1,10-dihydropyrrolo[2,3-a]carbazole-3-carboxamide
Canonical SMILES
C1=CC=C2C(=C1)C3=C(N2)C4=C(C=C3)C(=CN4)C(=O)N
InChI
InChI=1S/C15H11N3O/c16-15(19)11-7-17-13-10(11)6-5-9-8-3-1-2-4-12(8)18-14(9)13/h1-7,17-18H,(H2,16,19)
InChIKey
MXZKCOUOYWSEKW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44479711
TTD ID
D0NE0N

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 Pyrrolo[2,3-a] carbazoles and use thereof as PIM kinase inhibitors. US8481586.