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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL15844
CHEMBL15844
Compound Name INDOLE
ChEMBL Synonyms Indole
Max Phase 0
Trade Names
Molecular Formula C8H7N

Additional synonyms for CHEMBL15844 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES c1ccc2[nH]ccc2c1
Standard InChI InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
Standard InChI Key SIKJAQJRHWYJAI-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL15844

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
117.2 117.0578 2.12 0 15.79 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 2.59 2.59 2 9 0.54

Structural Alerts

There are no structural alerts for CHEMBL15844

Compound Cross References

ChemSpider ChemSpider:SIKJAQJRHWYJAI-UHFFFAOYSA-N
PubChem SID: 144206089 SID: 144208875 SID: 144213254 SID: 170465733
Wikipedia Indole

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL15844



ACToR 2584-75-0
BindingDB 50094702
Brenda 472 49126
ChEBI 16881
DrugBank DB04532
eMolecules 493363
EPA CompTox Dashboard DTXSID0020737
FDA SRS 8724FJW4M5
Human Metabolome Database HMDB0000738
IBM Patent System 29ED4F7894E090D5380F1B9DEEFC52FA
KEGG Ligand C00463
Mcule MCULE-9442796928
Metabolights MTBLC16881
MolPort MolPort-001-738-532
Nikkaji J2.920C
NMRShiftDB 10006007
PDBe IND
PubChem 798
PubChem: Thomson Pharma 15119819
SureChEMBL SCHEMBL698
ZINC ZINC000014516984

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