Details of the Drug

General Information of Drug (ID: DM9IN0U)

Drug Name
BCH
Synonyms
20448-79-7; 2-Amino-2-norbornanecarboxylic acid; 2-Aminobicyclo[2.2.1]heptane-2-carboxylic acid; 2-Aminonorbornane-2-carboxylic acid; MPUVBVXDFRDIPT-UHFFFAOYSA-N; Bicyclo[2.2.1]heptane-2-carboxylicacid, 2-amino-; b-BCH; 2-Amino-2-carboxy-bicyclo-2,2,1-heptane; AC1L3GVN; AC1Q5TB7; 2-Aminobicyclo(2,2,1)heptane-2-carboxylic acid; SCHEMBL202772; GTPL4700; CHEMBL2074957; CTK1A1593; MolPort-003-928-121; 2-amino-2-norbornane carboxylic acid; AKOS016044739; AKOS002666381; VZ23542; MCULE-9216762478; Norbornane-2-carboxylic acid, 2-amino
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 155.19
Logarithm of the Partition Coefficient (xlogp) -1.9
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C8H13NO2
IUPAC Name
2-aminobicyclo[2.2.1]heptane-2-carboxylic acid
Canonical SMILES
C1CC2CC1CC2(C(=O)O)N
InChI
InChI=1S/C8H13NO2/c9-8(7(10)11)4-5-1-2-6(8)3-5/h5-6H,1-4,9H2,(H,10,11)
InChIKey
MPUVBVXDFRDIPT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
115288
ChEBI ID
CHEBI:167508
CAS Number
20448-79-7
TTD ID
D05BOD

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Large neutral amino acids transporter 1 (SLC7A5) TTPH2JB LAT1_HUMAN Blocker [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 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: 4700).
2 Amino acid transporter molecule as a drug target. Nippon Yakurigaku Zasshi. 1999 Oct;114 Suppl 1:11P-16P.