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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL423464
CHEMBL423464
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H37N5O3

Additional synonyms for CHEMBL423464 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccccc1CN(CC(Cc2c[nH]c3ccccc23)NC(=O)CN4CCN(C)CC4)C(=O)C
Standard InChI InChI=1S/C28H37N5O3/c1-21(34)33(18-22-8-4-7-11-27(22)36-3)19 ...
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Standard InChI Key METKAKBIYIJIEG-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL423464

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
491.6 491.2896 2.5 10 80.91 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.47 1.5 1.22 3 36 0.46

Structural Alerts

There are 1 structural alerts for CHEMBL423464. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:METKAKBIYIJIEG-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL423464



BindingDB 50049310
Nikkaji J728.024F
PubChem 10553136
PubChem: Thomson Pharma 15580214

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