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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL395915
CHEMBL395915
Compound Name
ChEMBL Synonyms 5-Hydroxyindolacetic Acid
Max Phase 0
Trade Names
Molecular Formula C10H9NO3

Additional synonyms for CHEMBL395915 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(=O)Cc1c[nH]c2ccc(O)cc12
Standard InChI InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2 ...
Download InChI
Standard InChI Key DUUGKQCEGZLZNO-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL395915

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
191.2 191.0582 1.5 2 73.32 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 3 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.54 - .53 -2.37 2 14 0.67

Structural Alerts

There are no structural alerts for CHEMBL395915

Compound Cross References

ChemSpider ChemSpider:DUUGKQCEGZLZNO-UHFFFAOYSA-N
PubChem SID: 11111285 SID: 46500482 SID: 50106443 SID: 50106444 SID: 85231079 SID: 90340656
Wikipedia 5-Hydroxyindoleacetic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL395915



ACToR 1321-73-9 54-16-0 55362-47-5 66866-39-5 113303-91-6
Brenda 139227 105128 43544 105129 49852 91914 21230 108519
ChEBI 27823
ChemicalBook CB0362913
eMolecules 520474
FDA SRS YHC763JY1P
Human Metabolome Database HMDB0000763
IBM Patent System 49E687EF1905A93389D3574E4E9B2C2D
KEGG Ligand C05635
Mcule MCULE-5193831459
Metabolights MTBLC27823
MolPort MolPort-002-507-333
Nikkaji J11.030B
PDBe HID
PubChem 1826
PubChem: Thomson Pharma 15042342
SureChEMBL SCHEMBL138121
ZINC ZINC000000185722

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