Details of the Drug

General Information of Drug (ID: DMK7EYA)

Drug Name
Aspartic acid
Synonyms
(2S)-2-aminobutanedioic acid; (2S)-Aspartic acid; (S)-2-Aminosuccinic acid; (S)-Aminobutanedioic acid; (S)-Aspartic acid; Acidum asparticum; Aminosuccinic acid; Asparagic acid; Asparaginic acid; Asparaginsaeure [German]; Aspartate, L-; Aspartic acid, L-; Aspatofort; Butanedioic acid, amino-, (S); H-Asp-OH; L-(+)-Aspartic acid; L-2-Aminobutanedioic acid; L-Aminosuccinic acid; L-Asp; L-Asparagic acid; L-Asparaginic acid; L-Asparaginsaeure; L-Asparaginsyra; L-Aspartinsaeure; L-aspartate; L-aspartic acid; aspartate; aspartic acid
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 133.103
Logarithm of the Partition Coefficient (xlogp) -2.8
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
ADMET Property
Absorption
The drug is absorbed from the small intestine by an active transport process []
Chemical Identifiers
Formula
C4H7NO4
IUPAC Name
(2S)-2-aminobutanedioic acid
Canonical SMILES
C(C(C(=O)O)N)C(=O)O
InChI
InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChIKey
CKLJMWTZIZZHCS-REOHCLBHSA-N
Cross-matching ID
PubChem CID
5960
ChEBI ID
ChEBI:17053
CAS Number
56-84-8
DrugBank ID
DB00128
VARIDT ID
DR00352

Molecular Interaction Atlas of This Drug


Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Organic cation transporter-like 3 (SLC22A13) DT38SZL S22AD_HUMAN Substrate [1]
Putative sodium-coupled neutral amino acid transporter 10 (SLC38A10) DT2LGOY S38AA_HUMAN Substrate [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 SLC22A13 catalyses unidirectional efflux of aspartate and glutamate at the basolateral membrane of type A intercalated cells in the renal collecting duct. Biochem J. 2014 Jan 15;457(2):243-51.
2 The neuronal and astrocytic protein SLC38A10 transports glutamine, glutamate, and aspartate, suggesting a role in neurotransmission. FEBS Open Bio. 2017 Apr 26;7(6):730-746.