Details of the Drug

General Information of Drug (ID: DM7S5Y4)

Drug Name
NBI-59159
Synonyms CHEMBL1628570; NBI-59159; GTPL4626; BDBM50410451; (2S)-2-amino-3-[(9H-fluoren-2-yl)carbamoyl]propanoic acid
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) 296.32
Logarithm of the Partition Coefficient (xlogp) -0.4
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C17H16N2O3
IUPAC Name
(2S)-2-amino-4-(9H-fluoren-2-ylamino)-4-oxobutanoic acid
Canonical SMILES
C1C2=CC=CC=C2C3=C1C=C(C=C3)NC(=O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C17H16N2O3/c18-15(17(21)22)9-16(20)19-12-5-6-14-11(8-12)7-10-3-1-2-4-13(10)14/h1-6,8,15H,7,9,18H2,(H,19,20)(H,21,22)/t15-/m0/s1
InChIKey
QDIIRLCSVINDSC-HNNXBMFYSA-N
Cross-matching ID
PubChem CID
11369932
ChEBI ID
CHEMBL1628570
TTD ID
D0F5SO
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
Excitatory amino acid transporter 3 (SLC1A1) TTG2A6F EAA3_HUMAN Inhibitor [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: 4626).
2 Ligands targeting the excitatory amino acid transporters (EAATs). Curr Top Med Chem. 2006;6(17):1897-906.