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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL388434
CHEMBL388434
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H10N2O3

Additional synonyms for CHEMBL388434 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1cccc2c3[nH]c4ccccc4c3c5C(=O)NC(=O)c5c12
Standard InChI InChI=1S/C18H10N2O3/c21-11-7-3-5-9-12(11)14-15(18(23)20-17(1 ...
Download InChI
Standard InChI Key LZLABXPSAGHOTR-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL388434

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
302.3 302.0691 3.06 0 82.19 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.04 - 3.28 3.17 4 23 0.44

Structural Alerts

There are 2 structural alerts for CHEMBL388434. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LZLABXPSAGHOTR-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL388434



BindingDB 50220073
PubChem 17759312
PubChem: Thomson Pharma 29220306
ZINC ZINC000028710879

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