General Information of Drug (ID: DMLT7JV)

Drug Name
CNV-2197944
Synonyms GSK-2197944; Cav2.2 channel blocker (chronic pain), GlaxoSmithKline/Convergence Pharmaceuticals
Indication
Disease Entry ICD 11 Status REF
Pain MG30-MG3Z Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 427.4
Logarithm of the Partition Coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C19H20F3N3O3S
IUPAC Name
(2-methylpyridin-3-yl)-[(2S)-2-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
Canonical SMILES
C[C@H]1CN(CCN1C(=O)C2=C(N=CC=C2)C)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C19H20F3N3O3S/c1-13-12-24(10-11-25(13)18(26)17-4-3-9-23-14(17)2)29(27,28)16-7-5-15(6-8-16)19(20,21)22/h3-9,13H,10-12H2,1-2H3/t13-/m0/s1
InChIKey
BLFJGFDZMABYMY-ZDUSSCGKSA-N
Cross-matching ID
PubChem CID
44595848
CAS Number
1204535-44-3
DrugBank ID
DB15229
TTD ID
D01UDS
VARIDT ID
DR01024

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Voltage-gated calcium channel alpha Cav2.2 (CACNA1B) TT4FDG6 CAC1B_HUMAN Blocker [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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 calcium channel alpha Cav2.2 (CACNA1B) DTT CACNA1B 9.07E-01 7.11E-03 0.06
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT01848730) Efficacy and Safety of CNV2197944 Versus Placebo in Patients With Post-herpetic Neuralgia. U.S. National Institutes of Health.
2 Clinical pipeline report, company report or official report of Convergence Pharmaceuticals Ltd.