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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL487387
CHEMBL487387
Compound Name STEPHOLIDINE
ChEMBL Synonyms L-Stepholidine | L-(S)-Stepholidine | (-)-Stepholidine
Max Phase 0
Trade Names
Molecular Formula C19H21NO4

Additional synonyms for CHEMBL487387 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc2CCN3Cc4c(C[C@H]3c2cc1O)ccc(O)c4OC
Standard InChI InChI=1S/C19H21NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)1 ...
Download InChI
Standard InChI Key JKPISQIIWUONPB-HNNXBMFYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL487387

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
327.4 327.1471 3.15 2 62.16 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.97 6.82 -.44 -.55 2 24 0.89

Structural Alerts

There are no structural alerts for CHEMBL487387

Compound Cross References

ChemSpider ChemSpider:JKPISQIIWUONPB-HNNXBMFYSA-N
Wikipedia Stepholidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL487387



BindingDB 50378584
Brenda 147131
eMolecules 31231736
FDA SRS 0UPX3E69W8
Guide to Pharmacology 8370
IBM Patent System BA4B3571583CE87C402E4564D9477813
MolPort MolPort-020-005-719
Nikkaji J28.567F
PubChem 6917970
PubChem: Drugs of the Future 12013869
PubChem: Thomson Pharma 14801735
SureChEMBL SCHEMBL10001966
ZINC ZINC000022066528

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