Details of the Drug

General Information of Drug (ID: DMHKRVL)

Drug Name
Pyrido[1,2,4]triazolo[4,3-a]pyrazine derivative 1
Synonyms PMID27321640-Compound-54
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 309.75
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C16H12ClN5
IUPAC Name
3-(2-chloro-6-methylphenyl)-7-methyl-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
Canonical SMILES
CC1=C(C(=CC=C1)Cl)C2=NN=C3N2C4=C(N=CC=C4)N=C3C
InChI
InChI=1S/C16H12ClN5/c1-9-5-3-6-11(17)13(9)16-21-20-15-10(2)19-14-12(22(15)16)7-4-8-18-14/h3-8H,1-2H3
InChIKey
GBABEYRPJLOPCN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
71295288
ChEBI ID
CHEMBL3692711
TTD ID
D0Z4IA
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phosphodiesterase 10A (PDE10) TTJW4LU PDE10_HUMAN Inhibitor [1]
Phosphodiesterase 2A (PDE2A) TTJGW1Z PDE2A_HUMAN Inhibitor [1]
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Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Phosphodiesterase 10A (PDE10) DTT PDE10A 1.99E-01 -0.07 -0.21
Phosphodiesterase 10A (PDE10) DTT PDE10A 4.51E-01 -0.05 -0.32
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Towards selective phosphodiesterase 2A (PDE2A) inhibitors: a patent review (2010 - present).Expert Opin Ther Pat. 2016 Aug;26(8):933-46.