Details of the Drug

General Information of Drug (ID: DMIV04R)

Drug Name
Elpetrigine
Synonyms
ELPETRIGINE; 212778-82-0; JZP-4; 3-(2,3,5-trichlorophenyl)pyrazine-2,6-diamine; UNII-1X64S9H3ZS; 1X64S9H3ZS; 2,6-DIAMINO-3-(2,3,5-TRICHLOROPHENYL)PYRAZINE; 2,6-DIAMINO-3-(2,3,5-TRICHLOROPHENYL)-PYRAZINE; JZP4; Elpetrigine [USAN:INN]; Elpetrigine (USAN/INN); CHEMBL29919; SCHEMBL978547; ZINC9967; CTK0J9586; NNXUYJFHOVCRSM-UHFFFAOYSA-N; AKOS015966238; AN-29755; ACM212778820; D09609; 778D820; 2,6-Diamino-3-(2,3,5-trichlorophenyl) pyrazine; 2,6-Pyrazinediamine, 3-(2,3,5-trichlorophenyl)-; 2,6-Diamino-3- (2,3,5-trichlorophenyl) pyrazin
Indication
Disease Entry ICD 11 Status REF
Bipolar disorder 6A60 Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 289.5
Logarithm of the Partition Coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C10H7Cl3N4
IUPAC Name
3-(2,3,5-trichlorophenyl)pyrazine-2,6-diamine
Canonical SMILES
C1=C(C=C(C(=C1C2=NC=C(N=C2N)N)Cl)Cl)Cl
InChI
InChI=1S/C10H7Cl3N4/c11-4-1-5(8(13)6(12)2-4)9-10(15)17-7(14)3-16-9/h1-3H,(H4,14,15,17)
InChIKey
NNXUYJFHOVCRSM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9926001
ChEBI ID
CHEMBL29919
CAS Number
212778-82-0
TTD ID
D04MGD
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Calcium channel unspecific (CaC) TT5HONZ NOUNIPROTAC Blocker [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction 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 800027454)
2 Clinical pipeline report, company report or official report of Jazz Pharmaceuticals.