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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3677268
CHEMBL3677268
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H34O2

Additional synonyms for CHEMBL3677268 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCC1=C(CCCCCCCC(=O)O)C1
Standard InChI InChI=1S/C19H34O2/c1-2-3-4-5-7-10-13-17-16-18(17)14-11-8-6-9 ...
Download InChI
Standard InChI Key PQRKPYLNZGDCFH-UHFFFAOYSA-N

Sources

  • BindingDB Database

Alternate Forms of Compound in ChEMBL


CHEMBL3677268

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
294.5 294.2559 6.25 15 37.3 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.78 - 7.25 4.66 0 21 0.29

Structural Alerts

There are 7 structural alerts for CHEMBL3677268. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PQRKPYLNZGDCFH-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3677268



ACToR 738-87-4 55088-60-3
BindingDB 149345
Brenda 165838 12688
ChEBI 9261
FDA SRS MXV06G5ROK
IBM Patent System 8CE6F15269262FCB30AD8786A6899314
KEGG Ligand C08366
LipidMaps LMFA01140018
Nikkaji J12.302A
PubChem 12921
PubChem: Thomson Pharma 14775872
SureChEMBL SCHEMBL31295
ZINC ZINC000008221051

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