Details of the Drug

General Information of Drug (ID: DMNV0EZ)

Drug Name
3,6-Di-pyridin-4-yl-pyrazolo[1,5-a]pyrimidine
Synonyms pyrazolo[1,5-a]pyrimidine 1a; AC1NS6UW; CHEMBL92279; BDBM5417; 3,6-dipyridin-4-ylpyrazolo[1,5-a]pyrimidine; 3,6-Bis(4-pyridyl)pyrazolo[1,5-a]pyrimidine
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 273.29
Logarithm of the Partition Coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C16H11N5
IUPAC Name
3,6-dipyridin-4-ylpyrazolo[1,5-a]pyrimidine
Canonical SMILES
C1=CN=CC=C1C2=CN3C(=C(C=N3)C4=CC=NC=C4)N=C2
InChI
InChI=1S/C16H11N5/c1-5-17-6-2-12(1)14-9-19-16-15(10-20-21(16)11-14)13-3-7-18-8-4-13/h1-11H
InChIKey
ZLISHOMLHVNDJG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5329454
TTD ID
D0YN1E

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Vascular endothelial growth factor receptor 2 (KDR) TTUTJGQ VGFR2_HUMAN Inhibitor [1]
Vascular endothelial growth factor receptor 3 (FLT-4) TTDCBX5 VGFR3_HUMAN Inhibitor [2]
VEGFR1 messenger RNA (VEGFR1 mRNA) TT1VAUK VGFR1_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Vascular endothelial growth factor receptor 2 (KDR) DTT KDR 1.98E-01 0.11 0.2
Vascular endothelial growth factor receptor 3 (FLT-4) DTT FLT4 6.00E-01 -0.04 -0.23
VEGFR1 messenger RNA (VEGFR1 mRNA) DTT FLT1 1.64E-05 0.29 0.51
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Optimization of a pyrazolo[1,5-a]pyrimidine class of KDR kinase inhibitors: improvements in physical properties enhance cellular activity and pharm... Bioorg Med Chem Lett. 2002 Dec 16;12(24):3537-41.
2 Synthesis and initial SAR studies of 3,6-disubstituted pyrazolo[1,5-a]pyrimidines: a new class of KDR kinase inhibitors. Bioorg Med Chem Lett. 2002 Oct 7;12(19):2767-70.