Details of the Drug

General Information of Drug (ID: DMKE7YO)

• Drug Name: Pyrazolo[1,5-a]pyrimidine derivative 25
• Synonyms: PMID28270010-Compound-Figure9-2
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 408.4
  Topological Polar Surface Area (xlogp); 3
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C21H18F2N6O
  IUPAC Name: 1-cyano-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]cyclopropane-1-carboxamide
  Canonical SMILES: C1C[C@@H](N(C1)C2=NC3=C(C=NN3C=C2)NC(=O)C4(CC4)C#N)C5=C(C=CC(=C5)F)F
  InChI: InChI=1S/C21H18F2N6O/c22-13-3-4-15(23)14(10-13)17-2-1-8-28(17)18-5-9-29-19(27-18)16(11-25-29)26-20(30)21(12-24)6-7-21/h3-5,9-11,17H,1-2,6-8H2,(H,26,30)/t17-/m1/s1
  InChIKey: XFKSYGFIGZCVDN-QGZVFWFLSA-N
• Cross-matching ID:
  PubChem CID: 58386283
  TTD ID: D03USW

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.
• [2] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2019
• [3] 2018 FDA drug approvals.Nat Rev Drug Discov. 2019 Feb;18(2):85-89.
• [4] Safety and efficacy of MIM-D3 ophthalmic solutions in a randomized, placebo-controlled Phase 2 clinical trial in patients with dry eye. Clin Ophthalmol. 2013; 7: 1275-1285.
• [5] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [6] Topical TrkA Kinase Inhibitor CT327 is an Effective, Novel Therapy for the Treatment of Pruritus due to Psoriasis: Results from Experimental Studies, and Efficacy and Safety of CT327 in a Phase 2b Clinical Trial in Patients with Psoriasis. Acta Derm Venereol. 2015 May;95(5):542-8.
• [7] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [8] National Cancer Institute Drug Dictionary (drug id 747694).
• [9] National Cancer Institute Drug Dictionary (drug id 766123).