Details of the Drug

General Information of Drug (ID: DMLVY7A)

Drug Name
Imidazo triazine derivative 1
Synonyms PMID27321640-Compound-64
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 401.4
Logarithm of the Partition Coefficient (xlogp) 3.1
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C19H18F3N7
IUPAC Name
N,N,7-trimethyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]imidazo[5,1-f][1,2,4]triazin-4-amine
Canonical SMILES
CC1=NC(=C2N1N=CN=C2N(C)C)C3=C(N(N=C3)C)C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C19H18F3N7/c1-11-26-15(17-18(27(2)3)23-10-25-29(11)17)14-9-24-28(4)16(14)12-5-7-13(8-6-12)19(20,21)22/h5-10H,1-4H3
InChIKey
UXZUQMRCSXERSI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
68182028
ChEBI ID
CHEMBL3655847
TTD ID
D00ONN
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phosphodiesterase 2A (PDE2A) TTJGW1Z PDE2A_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction 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.