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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL82411
CHEMBL82411
Compound Name INDOLE-3-ACETIC ACID
ChEMBL Synonyms Indole-3-Acetic Acid
Max Phase 0
Trade Names
Molecular Formula C10H9NO2

Additional synonyms for CHEMBL82411 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)Cc1c[nH]c2ccccc12
Standard InChI InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6, ...
Download InChI
Standard InChI Key SEOVTRFCIGRIMH-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL82411

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
175.2 175.0633 1.79 2 53.09 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.49 - 1.53 -1.32 2 13 0.73

Structural Alerts

There are no structural alerts for CHEMBL82411

Compound Cross References

ChemSpider ChemSpider:SEOVTRFCIGRIMH-UHFFFAOYSA-N
PubChem SID: 144209482 SID: 144213048
Wikipedia Indole-3-acetic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL82411



ACToR 54692-39-6 6505-45-9
Atlas indole-3-acetic acid
BindingDB 50201883
Brenda 170341 6264 43329 222046 44248 5977 141265 14476 20312 92763 5162 103892 134272 61244 3639 2965 7152 30088
ChEBI 16411
ChemicalBook CB8783347
DrugBank DB07950
eMolecules 509953
EPA CompTox Dashboard DTXSID5020738
FDA SRS 6U1S09C61L
Human Metabolome Database HMDB0000197
IBM Patent System 76DF7C2FE7C4840999CC2E228C924AC8 93133A7FA5F4CBF7A8DBA8E2448184B7
KEGG Ligand C00954
Mcule MCULE-9266736782
Metabolights MTBLC16411
MolPort MolPort-000-145-707
Nikkaji J5.156J
NMRShiftDB 20097589
PDBe IAC
PubChem 802
PubChem: Thomson Pharma 14843190
SureChEMBL SCHEMBL26344
ZINC ZINC000000083860

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