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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL177577
CHEMBL177577
Compound Name
ChEMBL Synonyms OL-135
Max Phase 0
Trade Names
Molecular Formula C21H22N2O2

Additional synonyms for CHEMBL177577 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C(CCCCCCc1ccccc1)c2oc(cn2)c3ccccn3
Standard InChI InChI=1S/C21H22N2O2/c24-19(14-7-2-1-4-10-17-11-5-3-6-12-17)2 ...
Download InChI
Standard InChI Key ILOIOIGZFHGSMS-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL177577

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
334.4 334.1681 5.11 9 55.99 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 1 4 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.15 4.96 4.96 3 25 0.4

Structural Alerts

There are 7 structural alerts for CHEMBL177577. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ILOIOIGZFHGSMS-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL177577



BindingDB 23120
Brenda 41998 6285 14459
eMolecules 36096535
Guide to Pharmacology 5235
IBM Patent System 4BDA0B2CF5E18EE46FB28FC8018BDDB1
Nikkaji J2.272.814H
PubChem 10427006
PubChem: Thomson Pharma 15446274
SureChEMBL SCHEMBL1471932
ZINC ZINC000003949004

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