Details of the Drug

General Information of Drug (ID: DMK9NQI)

Drug Name
CPP-115
Synonyms
GABA aminotransferase inhibitors (oral), Northwestern University/Catalyst Pharmaceutical Partners; Vigabatrin derivatives (oral, neurological diseases), Northwestern University; Vigabatrin derivatives (oral, drug addiction/epilepsy/neuropathic pain), Catalyst Pharmaceutical Partners
Indication
Disease Entry ICD 11 Status REF
Tourette syndrome 8A05.00 Phase 2 [1]
Infantile spasm 8A62.0 Phase 1 [1]
Substance use disorder 6C4Z Phase 1 [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 177.15
Logarithm of the Partition Coefficient (xlogp) -2.7
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C7H9F2NO2
IUPAC Name
(1S,3S)-3-amino-4-(difluoromethylidene)cyclopentane-1-carboxylic acid
Canonical SMILES
C1[C@H](CC(=C(F)F)[C@H]1N)C(=O)O
InChI
InChI=1S/C7H9F2NO2/c8-6(9)4-1-3(7(11)12)2-5(4)10/h3,5H,1-2,10H2,(H,11,12)/t3-,5-/m0/s1
InChIKey
CBSRETZPFOBWNG-UCORVYFPSA-N
Cross-matching ID
PubChem CID
9794014
CAS Number
640897-20-7
UNII
5TD9324Z2U
DrugBank ID
DB17919
TTD ID
D0EJ7U
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
GABA transaminase (ABAT) TTT2LD9 GABT_HUMAN Inhibitor [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 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: 8284).
3 Clinical pipeline report, company report or official report of Catalyst Pharma.