Details of the Drug

General Information of Drug (ID: DMGIJZA)

• Drug Name: US8546370, 17
• Synonyms: SCHEMBL1048459; CHEMBL3642578; BDBM103511; US8546370, 17
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 379.5
  Logarithm of the Partition Coefficient (xlogp); 1.6
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C21H25N5O2
  IUPAC Name: 6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
  Canonical SMILES: C1COCCN1C2=CC=C(C=C2)NC3=C4C(=CC(=N3)CCCN)C=CNC4=O
  InChI: InChI=1S/C21H25N5O2/c22-8-1-2-17-14-15-7-9-23-21(27)19(15)20(25-17)24-16-3-5-18(6-4-16)26-10-12-28-13-11-26/h3-7,9,14H,1-2,8,10-13,22H2,(H,23,27)(H,24,25)
  InChIKey: MKILIVUEQNFIIU-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44180013
  TTD ID: D0VE2A

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tyrosine-protein kinase ZAP-70 (ZAP-70)	TTUMHT8	ZAP70_HUMAN	Inhibitor	[1]

References

• [1] Compounds and compositions as kinase inhibitors. US8546370.