Details of the Drug

General Information of Drug (ID: DMPMH7Z)

Drug Name
ACDPP
Synonyms 3-amino-6-chloro-5-(dimethylamino)-N-(pyridin-3-yl)pyrazine-2-carboxamide; GTPL3388; CHEMBL1616372; CHEBI:104024; ZINC7992851; BRD-K68633617-003-01-1
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 292.72
Logarithm of the Partition Coefficient (xlogp) 1.5
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C12H13ClN6O
IUPAC Name
3-amino-6-chloro-5-(dimethylamino)-N-pyridin-3-ylpyrazine-2-carboxamide
Canonical SMILES
CN(C)C1=NC(=C(N=C1Cl)C(=O)NC2=CN=CC=C2)N
InChI
InChI=1S/C12H13ClN6O/c1-19(2)11-9(13)17-8(10(14)18-11)12(20)16-7-4-3-5-15-6-7/h3-6H,1-2H3,(H2,14,18)(H,16,20)
InChIKey
RNGRUHWJJPTYNR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
16759169
ChEBI ID
CHEBI:104024
TTD ID
D02QTE

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Metabotropic glutamate receptor 5 (mGluR5) TTHS256 GRM5_HUMAN Antagonist [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
Metabotropic glutamate receptor 5 (mGluR5) DTT GRM5 9.81E-07 -0.26 -0.54
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3388).
2 Dipyridyl amides: potent metabotropic glutamate subtype 5 (mGlu5) receptor antagonists. Bioorg Med Chem Lett. 2005 Feb 15;15(4):1197-200.