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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL486598
CHEMBL486598
Compound Name EVODIAMINE
ChEMBL Synonyms Evodiamine | Evidiamine Chloride
Max Phase 0
Trade Names
Molecular Formula C19H17N3O

Additional synonyms for CHEMBL486598 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1[C@@H]2N(CCc3c2[nH]c4ccccc34)C(=O)c5ccccc15
Standard InChI InChI=1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13- ...
Download InChI
Standard InChI Key TXDUTHBFYKGSAH-GOSISDBHSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL486598

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
303.4 303.1372 3.67 0 39.34 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.13 3.89 3.89 3 23 0.69

Structural Alerts

There are no structural alerts for CHEMBL486598

Compound Cross References

ChemSpider ChemSpider:TXDUTHBFYKGSAH-GOSISDBHSA-N
Wikipedia Evodiamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL486598



BindingDB 50366821
Nikkaji J562.439H
PubChem 6971167
ZINC ZINC000002031813

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