Details of the Drug

General Information of Drug (ID: DMZW0YO)

• Drug Name: IM-023911
• Synonyms: IM-023911; CHEMBL193342; AC1NQ014; A2595/0110399; MolPort-002-710-895; ZINC3672574; BDBM50173049; STK765418; AKOS001757037; MCULE-3428588247; 4-[4-[4-[chloro(difluoro)methoxy]anilino]phthalazin-1-yl]benzamide; 4-(4-{4-[chloro(difluoro)methoxy]anilino}-1-phthalazinyl)benzamide; 4-{4-[4-(Chloro-difluoro-methoxy)-phenylamino]-phthalazin-1-yl}-benzamide; 4-[4-({4-[chloro(difluoro)methoxy]phenyl}amino)phthalazin-1-yl]benzamide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 440.8
  Logarithm of the Partition Coefficient (xlogp); 4.9
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C22H15ClF2N4O2
  IUPAC Name: 4-[4-[4-[chloro(difluoro)methoxy]anilino]phthalazin-1-yl]benzamide
  Canonical SMILES: C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)OC(F)(F)Cl)C4=CC=C(C=C4)C(=O)N
  InChI: InChI=1S/C22H15ClF2N4O2/c23-22(24,25)31-16-11-9-15(10-12-16)27-21-18-4-2-1-3-17(18)19(28-29-21)13-5-7-14(8-6-13)20(26)30/h1-12H,(H2,26,30)(H,27,29)
  InChIKey: GUSAPNPQBHFHSX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5187941
  TTD ID: D0ST4P

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Vascular endothelial growth factor receptor 2 (KDR)	TTUTJGQ	VGFR2_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Vascular endothelial growth factor receptor 2 (KDR)	DTT	KDR	1.98E-01	0.11	0.2

References

• [1] Arylphthalazines: identification of a new phthalazine chemotype as inhibitors of VEGFR kinase. Bioorg Med Chem Lett. 2005 Nov 1;15(21):4696-8.