Details of the Drug

General Information of Drug (ID: DM0DYAU)

• Drug Name: 3-(6-allyloxy-2-naphthyl)-1-(4-piperidylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
• Synonyms: CHEMBL2069315; SCHEMBL14574842; CHEMBL2079230; BDBM50389688; 3-(6-allyloxy-2-naphthyl)-1-(4-piperidylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 414.5
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C24H26N6O
  IUPAC Name: 1-(piperidin-4-ylmethyl)-3-(6-prop-2-enoxynaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
  Canonical SMILES: C=CCOC1=CC2=C(C=C1)C=C(C=C2)C3=NN(C4=NC=NC(=C34)N)CC5CCNCC5
  InChI: InChI=1S/C24H26N6O/c1-2-11-31-20-6-5-17-12-19(4-3-18(17)13-20)22-21-23(25)27-15-28-24(21)30(29-22)14-16-7-9-26-10-8-16/h2-6,12-13,15-16,26H,1,7-11,14H2,(H2,25,27,28)
  InChIKey: LQRGSXMDDSWGQL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 53344793
  TTD ID: D07FAF

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.