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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 1.55 2 73.31 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 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 54-16-0 1321-73-9 55362-47-5 66866-39-5 113303-91-6
Brenda 139227 105128 105129 43544 49852 21230 91914 108519
ChEBI 27823
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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