General Information of Drug (ID: DMLV1ET)

Drug Name
BIIB074
Synonyms CNV1014082; BC600719; HY-12796; B5927; (5R)-5-(4-[2-
Indication
Disease Entry ICD 11 Status REF
Bipolar disorder 6A60 Phase 2 [1]
Lumbosacral radiculopathy 8B93.Y Phase 2 [2]
Trigeminal neuralgia 8B82.0 Phase 2 [2]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 314.4
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C18H19FN2O2
IUPAC Name
(2S,5R)-5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxamide
Canonical SMILES
C1C[C@H](N[C@H]1C2=CC=C(C=C2)OCC3=CC=CC=C3F)C(=O)N
InChI
InChI=1S/C18H19FN2O2/c19-15-4-2-1-3-13(15)11-23-14-7-5-12(6-8-14)16-9-10-17(21-16)18(20)22/h1-8,16-17,21H,9-11H2,(H2,20,22)/t16-,17+/m1/s1
InChIKey
JESCETIFNOFKEU-SJORKVTESA-N
Cross-matching ID
PubChem CID
16046068
CAS Number
934240-30-9
DrugBank ID
DB11706
TTD ID
D0OX9F
VARIDT ID
DR01050
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Bipolar disorder
ICD Disease Classification 6A60
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 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800027679)
2 Antibodies and venom peptides: new modalities for ion channels. Nat Rev Drug Discov. 2019 May;18(5):339-357.