ASPARTIC ACID

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 30KYC7MIAI

Structure
InChI Key CKLJMWTZIZZHCS-REOHCLBHSA-N
Smile N[C@@H](CC(=O)O)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

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7NO4
Molecular Weight 133.1
AlogP -1.13
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 100.62
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 9.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme
- - - 90000 -
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor NMDA receptor
- 1638-10000 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC01 family of amino acid transporters
- 10965-11000 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC03 and SLC07 families of heteromeric amino acid transporters (HATs) SLC07 Cationic amino acid transporter/glycoprotein-associated family
- - - - 4
Transporter Electrochemical transporter
- 10965-11000 1 - 4

Cross References

Resources Reference
ChEBI 17053
ChEMBL CHEMBL274323
DrugBank DB00128
DrugCentral 1550
EPA CompTox DTXSID7022621
FDA SRS 30KYC7MIAI
Human Metabolome Database HMDB0000191
Guide to Pharmacology 3309
KEGG C00049
PDB ASP
PharmGKB PA448494
PubChem 5960
SureChEMBL SCHEMBL3231
ZINC ZINC000000895032
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