Details of the Drug

General Information of Drug (ID: DM6U3ZR)

• Drug Name: US8481586, 40
• Synonyms: CHEMBL575739; SCHEMBL844464; BDBM50299250; US8481586, 40; 7-(2,4-Difluorophenyl)-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 346.3
  Logarithm of the Partition Coefficient (xlogp); 4.8
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C21H12F2N2O
  IUPAC Name: 7-(2,4-difluorophenyl)-1,10-dihydropyrrolo[2,3-a]carbazole-3-carbaldehyde
  Canonical SMILES: C1=CC2=C(C=C1C3=C(C=C(C=C3)F)F)C4=C(N2)C5=C(C=C4)C(=CN5)C=O
  InChI: InChI=1S/C21H12F2N2O/c22-13-2-3-14(18(23)8-13)11-1-6-19-17(7-11)16-5-4-15-12(10-26)9-24-20(15)21(16)25-19/h1-10,24-25H
  InChIKey: BFWHRHJPPAUSLJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44480198
  TTD ID: D0M0TH

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 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

References

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