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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL8618
CHEMBL8618
Compound Name NAN-190
ChEMBL Synonyms NAN-190
Max Phase 0
Trade Names
Molecular Formula C23H27N3O3

Additional synonyms for CHEMBL8618 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccccc1N2CCN(CCCCN3C(=O)c4ccccc4C3=O)CC2
Standard InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15- ...
Download InChI
Standard InChI Key SJDOMIRMMUGQQK-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL8618

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
393.5 393.2052 3.26 7 53.09 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 0 0 6 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.89 3.14 2.7 2 29 0.53

Structural Alerts

There are 2 structural alerts for CHEMBL8618. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SJDOMIRMMUGQQK-UHFFFAOYSA-N
PubChem SID: 11111535 SID: 11113562 SID: 26751769 SID: 50104456 SID: 90341187
Wikipedia NAN-190

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL8618



BindingDB 82517
ChEBI 64131
eMolecules 1933749
Guide to Pharmacology 73
IBM Patent System DE032F2DBC7BB582AAF0D9FA95F5783F
LINCS LSM-3548
Mcule MCULE-2840649749
Nikkaji J347.045H
PubChem 4431
PubChem: Thomson Pharma 14854322
SureChEMBL SCHEMBL2231820
ZINC ZINC000001537496

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