Details of the Drug

General Information of Drug (ID: DM2NTBL)

Drug Name
PF-05241328
Indication
Disease Entry ICD 11 Status REF
Pain MG30-MG3Z Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 436.9
Logarithm of the Partition Coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C19H21ClN4O4S
IUPAC Name
1-[5-chloro-6-(2-methylpropoxy)pyridin-3-yl]-3-methyl-N-methylsulfonylindazole-5-carboxamide
Canonical SMILES
CC1=NN(C2=C1C=C(C=C2)C(=O)NS(=O)(=O)C)C3=CC(=C(N=C3)OCC(C)C)Cl
InChI
InChI=1S/C19H21ClN4O4S/c1-11(2)10-28-19-16(20)8-14(9-21-19)24-17-6-5-13(7-15(17)12(3)22-24)18(25)23-29(4,26)27/h5-9,11H,10H2,1-4H3,(H,23,25)
InChIKey
RVTSXVZXEGFIPW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
68109743
ChEBI ID
CHEMBL4279521
CAS Number
1387633-03-5
UNII
8RAL5N48VT
DrugBank ID
DB15124
TTD ID
D0BT0Z
VARIDT ID
DR01057
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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 Nav1.7 (SCN9A) TT4G2JS SCN9A_HUMAN Inhibitor [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 Nav1.7 (SCN9A) DTT SCN9A 1.42E-03 -0.12 -0.36
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT01165736) To Calculate the Pharmacokinetics (Concentration of Compound in and Rate of Excretion From the Blood) Following a Very Low Dose of Compound Which Will Not Have Any Pharmacological Activity. U.S. National Institutes of Health.
2 Recent progress in sodium channel modulators for pain. Bioorg Med Chem Lett. 2014 Aug 15;24(16):3690-9.