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
Affected Organisms
Humans and other mammals
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
CHEMBL274323
CAS Number
56-84-8
UNII
30KYC7MIAI
DrugBank ID
DB00128
VARIDT ID
DR00352
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.