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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL148740
CHEMBL148740
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C22H20N4O

Additional synonyms for CHEMBL148740 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1nc2CCN(Cc3ccccc3)Cc2c4nc(cn14)c5ccccc5
Standard InChI InChI=1S/C22H20N4O/c27-22-24-19-11-12-25(13-16-7-3-1-4-8-16) ...
Download InChI
Standard InChI Key DMBQCSRARMDJRI-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL148740

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
356.4 356.1637 3.66 3 53.66 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.19 3.39 .88 4 27 0.61

Structural Alerts

There are no structural alerts for CHEMBL148740

Compound Cross References

ChemSpider ChemSpider:DMBQCSRARMDJRI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL148740



BindingDB 50120809
IBM Patent System 97A64B7AEEF362A6E5B78F5B0056B269
PubChem 10991911
PubChem: Thomson Pharma 16050799
SureChEMBL SCHEMBL7330679
ZINC ZINC000013492011

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