Details of the Drug

General Information of Drug (ID: DMVEP6Y)

Drug Name
Pyrazolo[1,5-a]pyrimidine derivative 18
Synonyms PMID28270010-Compound-Figure11-1
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 398.4
Logarithm of the Partition Coefficient (xlogp) -0.5
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C19H19FN6O3
IUPAC Name
(6R,13S)-9-fluoro-13-hydroxy-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione
Canonical SMILES
C1C[C@@H]2C3=CC(=CN(C3=O)C[C@H](CNC(=O)C4=C5N=C(N2C1)C=CN5N=C4)O)F
InChI
InChI=1S/C19H19FN6O3/c20-11-6-13-15-2-1-4-25(15)16-3-5-26-17(23-16)14(8-22-26)18(28)21-7-12(27)10-24(9-11)19(13)29/h3,5-6,8-9,12,15,27H,1-2,4,7,10H2,(H,21,28)/t12-,15+/m0/s1
InChIKey
UHWGZELMUUQSBI-SWLSCSKDSA-N
Cross-matching ID
PubChem CID
70169989
TTD ID
D05RKT

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.