Details of the Drug

General Information of Drug (ID: DMQVLP8)

• Drug Name: Pyrazolo[1,5-a]pyrimidine derivative 23
• Synonyms: PMID28270010-Compound-Figure19-3
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 439.5
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C23H23F2N5O2
  IUPAC Name: (E)-3-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-morpholin-4-ylprop-2-en-1-one
  Canonical SMILES: C1C[C@@H](N(C1)C2=NC3=C(C=NN3C=C2)/C=C/C(=O)N4CCOCC4)C5=C(C=CC(=C5)F)F
  InChI: InChI=1S/C23H23F2N5O2/c24-17-4-5-19(25)18(14-17)20-2-1-8-29(20)21-7-9-30-23(27-21)16(15-26-30)3-6-22(31)28-10-12-32-13-11-28/h3-7,9,14-15,20H,1-2,8,10-13H2/b6-3+/t20-/m1/s1
  InChIKey: FFDHOZJDUKYFPJ-SQZHUTIHSA-N
• Cross-matching ID:
  PubChem CID: 121395204
  TTD ID: D06NPZ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tropomyosin-related kinase A (TrkA)	TTTDVOJ	NTRK1_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Tropomyosin-related kinase A (TrkA)	DTT	NTRK1	8.72E-01	-0.04	-0.22

References

• [1] Tropomyosin receptor kinase inhibitors: an updated patent review for 2010-2016 - Part I.Expert Opin Ther Pat. 2017 Jun;27(6):733-751.