Details of the Drug

General Information of Drug (ID: DMRHNIL)

• Drug Name: US8759338, 1
• Synonyms: SCHEMBL1710320; CHEMBL3685734; BDBM124897; US8759338, 1
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 429.5
  Logarithm of the Partition Coefficient (xlogp); 3.9
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C25H21F2N5
  IUPAC Name: N-[4-(3-aminocyclohexen-1-yl)pyridin-3-yl]-2-(2,6-difluorophenyl)quinazolin-8-amine
  Canonical SMILES: C1CC(C=C(C1)C2=C(C=NC=C2)NC3=CC=CC4=CN=C(N=C43)C5=C(C=CC=C5F)F)N
  InChI: InChI=1S/C25H21F2N5/c26-19-7-3-8-20(27)23(19)25-30-13-16-5-2-9-21(24(16)32-25)31-22-14-29-11-10-18(22)15-4-1-6-17(28)12-15/h2-3,5,7-14,17,31H,1,4,6,28H2
  InChIKey: VWDOGNVHWKGFOS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 46186002
  TTD ID: D0XJ2J

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] Heterocyclic kinase inhibitors. US8759338.