Details of the Drug

General Information of Drug (ID: DM93LMS)

Drug Name
PF-01247324
Synonyms Nav1.8 blockers (pain); Nav1.8 blockers (pain), Pfizer; Voltage-gated sodium channel 1.8 blockers (pain), Pfizer
Indication
Disease Entry ICD 11 Status REF
Pain MG30-MG3Z Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 330.6
Logarithm of the Partition Coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C13H10Cl3N3O
IUPAC Name
6-amino-N-methyl-5-(2,3,5-trichlorophenyl)pyridine-2-carboxamide
Canonical SMILES
CNC(=O)C1=NC(=C(C=C1)C2=C(C(=CC(=C2)Cl)Cl)Cl)N
InChI
InChI=1S/C13H10Cl3N3O/c1-18-13(20)10-3-2-7(12(17)19-10)8-4-6(14)5-9(15)11(8)16/h2-5H,1H3,(H2,17,19)(H,18,20)
InChIKey
HPIUHDCRVYDAEJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11659955
ChEBI ID
CHEMBL3589894
CAS Number
875051-72-2
TTD ID
D04JZH
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Voltage-gated sodium channel alpha Nav1.8 (SCN10A) TT90XZ8 SCNAA_HUMAN Blocker [2]
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Molecular Expression Atlas of This Drug

The Studied Disease Pain
ICD Disease Classification MG30-MG3Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Voltage-gated sodium channel alpha Nav1.8 (SCN10A) DTT SCN10A 9.89E-01 -0.16 -0.31
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: 8521).
2 Oral Administration of PF-01247324, a Subtype-Selective Nav1.8 Blocker, Reverses Cerebellar Deficits in a Mouse Model of Multiple Sclerosis. PLoS One. 2015; 10(3): e0119067.