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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1326499
CHEMBL1326499
Compound Name
ChEMBL Synonyms SR-59230A
Max Phase 0
Trade Names
Molecular Formula C21H27NO2

Additional synonyms for CHEMBL1326499 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCc1ccccc1OC[C@@H](O)CN[C@H]2CCCc3ccccc23
Standard InChI InChI=1S/C21H27NO2/c1-2-16-8-4-6-13-21(16)24-15-18(23)14-22- ...
Download InChI
Standard InChI Key VFDHMSXXELYMRW-ICSRJNTNSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1326499

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
325.5 325.2042 3.66 7 41.49 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.84 8.29 4.54 3.5 2 24 0.82

Structural Alerts

There are no structural alerts for CHEMBL1326499

Compound Cross References

ChemSpider ChemSpider:VFDHMSXXELYMRW-ICSRJNTNSA-N
PubChem SID: 11114117

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1326499



ACToR 174689-38-4
BindingDB 86451
ChEBI 92621
EPA CompTox Dashboard DTXSID6043884
FDA SRS YZ574930OD
Guide to Pharmacology 547
IBM Patent System 3FA9413D9E775FE29326550E2F2C2F92
LINCS LSM-2774
Nikkaji J626.589H
PubChem 5311452
PubChem: Thomson Pharma 136883983
SureChEMBL SCHEMBL3692842
ZINC ZINC000003812136

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