Details of the Drug

General Information of Drug (ID: DMB6EFV)

Drug Name
Pyrazolo[1,5-a]pyrimidine derivative 14
Synonyms PMID28270010-Compound-Figure10a-1
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 381.4
Logarithm of the Partition Coefficient (xlogp) 1.8
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C20H20FN5O2
IUPAC Name
N-cyclopropyl-5-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
Canonical SMILES
C1CC1NC(=O)C2=C3N=C(C=CN3N=C2)N4C[C@@H](C[C@@H]4C5=CC(=CC=C5)F)O
InChI
InChI=1S/C20H20FN5O2/c21-13-3-1-2-12(8-13)17-9-15(27)11-25(17)18-6-7-26-19(24-18)16(10-22-26)20(28)23-14-4-5-14/h1-3,6-8,10,14-15,17,27H,4-5,9,11H2,(H,23,28)/t15-,17-/m1/s1
InChIKey
DHEFBJXZYSKWIF-NVXWUHKLSA-N
Cross-matching ID
PubChem CID
67501573
TTD ID
D0H8XH

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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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.