Details of the Drug

General Information of Drug (ID: DMPOVZ6)

• Drug Name: BDBM50379214
• Synonyms: CHEMBL2011291; SCHEMBL14839289; BDBM50379214
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 433.7
  Logarithm of the Partition Coefficient (xlogp); 5.7
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C20H12Cl3FN4
  IUPAC Name: 4-(4-fluorophenyl)-5-pyridin-4-yl-2-(2,4,6-trichlorophenyl)pyrazol-3-amine
  Canonical SMILES: C1=CC(=CC=C1C2=C(N(N=C2C3=CC=NC=C3)C4=C(C=C(C=C4Cl)Cl)Cl)N)F
  InChI: InChI=1S/C20H12Cl3FN4/c21-13-9-15(22)19(16(23)10-13)28-20(25)17(11-1-3-14(24)4-2-11)18(27-28)12-5-7-26-8-6-12/h1-10H,25H2
  InChIKey: MOHYPRXHKRXDSE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 56924694
  TTD ID: D04SWX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Activated CDC42 kinase 1 (ACK-1)	TTIET93	ACK1_HUMAN	Inhibitor	[1]

References

• [1] Kinase modulators for the treatment of cancer. US9416123.