Details of the Drug

General Information of Drug (ID: DM6XJ9S)

• Drug Name: SB-743921
• Synonyms: N-[1-(3-benzyl-7-chloro-4-oxo-quinazolin-2-yl)propyl]-4-bromo-N-(3-dimethylaminopropyl)benzamide

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Phase 2	[1]

• Therapeutic Class: Anticancer Agents
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight; 553.5
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 9
  Hydrogen Bond Donor Count; 2
  Hydrogen Bond Acceptor Count; 4
• Chemical Identifiers:
  Formula: C31H34Cl2N2O3
  IUPAC Name: N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-2-methylpropyl]-4-methylbenzamide;hydrochloride
  Canonical SMILES: CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=C(C(=O)C3=C(O2)C=C(C=C3)Cl)CC4=CC=CC=C4)C(C)C.Cl
  InChI: InChI=1S/C31H33ClN2O3.ClH/c1-20(2)28(34(17-7-16-33)31(36)23-12-10-21(3)11-13-23)30-26(18-22-8-5-4-6-9-22)29(35)25-15-14-24(32)19-27(25)37-30;/h4-6,8-15,19-20,28H,7,16-18,33H2,1-3H3;1H/t28-;/m1./s1
  InChIKey: MLMZVWABFOLFGV-LNLSOMNWSA-N
• Cross-matching ID:
  PubChem CID: 49867937
  CAS Number: 940929-33-9
  UNII: 24DSZ1VN92
  DrugBank ID: DB05546
  TTD ID: D0U4EU
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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Kinesin-like protein KIF11 (KIF11)	TTTRP0H	KIF11_HUMAN	Inhibitor	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Solid tumour/cancer
• ICD Disease Classification: 2A00-2F9Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Kinesin-like protein KIF11 (KIF11)	DTT	KIF11	5.72E-26	-1.17	-1.31

References

• [1] ClinicalTrials.gov (NCT00343564) A Study of SB-743921 in Non-Hodgkin's Lymphoma. U.S. National Institutes of Health.
• [2] Gateways to clinical trials. Methods Find Exp Clin Pharmacol. 2009 Jan-Feb;31(1):47-57.