Details of the Drug

General Information of Drug (ID: DM6YQO3)

• Drug Name: BK3
• Synonyms: CHEMBL1231372; MMV676182; 3-(Naphthalen-1-Ylmethyl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine; BK3; SCHEMBL12437018; BDBM50345712; 3-(1-naphthylmethyl)-1-(4-piperidylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 372.5
  Logarithm of the Partition Coefficient (xlogp); 3.3
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C22H24N6
  IUPAC Name: 3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
  Canonical SMILES: C1CNCCC1CN2C3=NC=NC(=C3C(=N2)CC4=CC=CC5=CC=CC=C54)N
  InChI: InChI=1S/C22H24N6/c23-21-20-19(12-17-6-3-5-16-4-1-2-7-18(16)17)27-28(22(20)26-14-25-21)13-15-8-10-24-11-9-15/h1-7,14-15,24H,8-13H2,(H2,23,25,26)
  InChIKey: MMRLNUFECMEMSQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 46398830
  TTD ID: D04XHJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Hematopoietic cell kinase (HCK)	TT42OGM	HCK_HUMAN	Inhibitor	[1]

References

• [1] Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases. US9765037.