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
CHEMBL167508
CAS Number
20448-79-7
TTD ID
D05BOD
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
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.