Details of the Drug

General Information of Drug (ID: DMTJZIL)

• Drug Name: Barasertib-hQPA
• Synonyms: AZD1152-HQPA; Barasertib (AZD1152-HQPA); AZD-1152HQPA; barasertib-hQPA; UNII-29P8LWS24N; INH 34; AZD1152 HPQA; 29P8LWS24N; CHEMBL215152; 2-[5-(7-{3-[Ethyl-(2-hydroxy-ethyl)-amino]-propoxy}-quinazolin-4-ylamino)-2H-pyrazol-3-yl]-N-(3-fluoro-phenyl)-acetamide; 2-(3-((7-(3-(ethyl(2-hydroxyethyl)amino)propoxy)quinazolin-4-yl)amino)-1H-pyrazol-5-yl)-N-(3-fluorophenyl)acetamide; 5-[[7-[3-[Ethyl(2-hydroxyethyl)amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-1H-pyrazole-3-acetamide; AZD 1152
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight; 507.6
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 13
  Hydrogen Bond Donor Count; 4
  Hydrogen Bond Acceptor Count; 9
• Chemical Identifiers:
  Formula: C26H30FN7O3
  IUPAC Name: 2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide
  Canonical SMILES: CCN(CCCOC1=CC2=C(C=C1)C(=NC=N2)NC3=NNC(=C3)CC(=O)NC4=CC(=CC=C4)F)CCO
  InChI: InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33)
  InChIKey: QYZOGCMHVIGURT-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 16007391
  ChEBI ID: CHEBI:91367
  CAS Number: 722544-51-6
  VARIDT ID: DR01712

Molecular Interaction Atlas of This Drug

Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	MOA	REF
Breast cancer resistance protein (ABCG2)	DTI7UX6	ABCG2_HUMAN	Substrate	[1]

References

• [1] P-glycoprotein and breast cancer resistance protein in acute myeloid leukaemia cells treated with the aurora-B kinase inhibitor barasertib-hQPA. BMC Cancer. 2011 Jun 16;11:254.