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
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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.