Details of the Drug

General Information of Drug (ID: DMTD3C1)

• Drug Name: Pyrazolo-triazine derivative 1
• Synonyms: PMID26161698-Compound-13
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 380.5
  Logarithm of the Partition Coefficient (xlogp); 3.9
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C21H28N6O
  IUPAC Name: N-[(1S)-1-phenylethyl]-2-piperidin-3-yloxy-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
  Canonical SMILES: C[C@@H](C1=CC=CC=C1)NC2=NC(=NC3=C(C=NN32)C(C)C)OC4CCCNC4
  InChI: InChI=1S/C21H28N6O/c1-14(2)18-13-23-27-19(18)25-21(28-17-10-7-11-22-12-17)26-20(27)24-15(3)16-8-5-4-6-9-16/h4-6,8-9,13-15,17,22H,7,10-12H2,1-3H3,(H,24,25,26)/t15-,17?/m0/s1
  InChIKey: GTZAVJAMAXSTOG-MYJWUSKBSA-N
• Cross-matching ID:
  PubChem CID: 89778898
  TTD ID: D0G2SI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cyclin-dependent kinase 7 (CDK7)	TTQYF7G	CDK7_HUMAN	Inhibitor	[1]

References

• [1] Cyclin-dependent kinase inhibitors for cancer therapy: a patent review (2009 - 2014).Expert Opin Ther Pat. 2015;25(9):953-70.