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]
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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

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]

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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.