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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL274323
CHEMBL274323
Compound Name ASPARTIC ACID
ChEMBL Synonyms L-ASPARTIC ACID | Aspartic acid
Max Phase 3
Trade Names
Molecular Formula C4H7NO4

Additional synonyms for CHEMBL274323 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@H](CC(=O)O)C(=O)O
Standard InChI InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9) ...
Download InChI
Standard InChI Key CKLJMWTZIZZHCS-REOHCLBHSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL274323

Molecule Features

CHEMBL274323 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov ASPARTIC ACID
The Cochrane Collaboration ASPARTIC ACID

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
133.1 133.0375 -1.13 3 100.62 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 5 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.28 9.95 -1.07 -4.58 0 9 0.45

Structural Alerts

There are 2 structural alerts for CHEMBL274323. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CKLJMWTZIZZHCS-REOHCLBHSA-N
PubChem SID: 11113409 SID: 26751648 SID: 50104339 SID: 90340967

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL274323



ACToR 155436-59-2 27881-03-4 39162-75-9 181119-33-5
BindingDB 18125
Brenda 145958 145027 304 96164 97 49150 55021 1353 2947 294 170998 724 145044 34449 170999 145940
ChEBI 17053
ChemicalBook CB3141599
DrugBank DB00128
DrugCentral 1550
eMolecules 478712
EPA CompTox Dashboard DTXSID7022621
FDA SRS 30KYC7MIAI
Guide to Pharmacology 4534 3309
Human Metabolome Database HMDB0000191
IBM Patent System 1257B882F9BA5822115A5F588CAD9F16
KEGG Ligand C00049
Mcule MCULE-6700641640 MCULE-3710241722
Metabolights MTBLC17053
MolPort MolPort-001-792-017
Nikkaji J9.169C
PDBe ASP IAS
PharmGKB PA448494
PubChem 5960 44367445
PubChem: Thomson Pharma 15119963
SureChEMBL SCHEMBL3231
ZINC ZINC000000895032

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/CKLJMWTZIZZHCS-REOHCLBHSA-N spacer
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