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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL395280
CHEMBL395280
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C15H18N2O

Additional synonyms for CHEMBL395280 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C\C=C\1/[C@@H]2CC3=C(C=CC(=O)N3)[C@@]1(N)CC(=C2)C
Standard InChI InChI=1S/C15H18N2O/c1-3-11-10-6-9(2)8-15(11,16)12-4-5-14(18) ...
Download InChI
Standard InChI Key ZRJBHWIHUMBLCN-YQEJDHNASA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL395280

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
242.3 242.1419 1.06 0 55.12 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.25 9.01 .83 -.58 0 18 0.62

Structural Alerts

There are 3 structural alerts for CHEMBL395280. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZRJBHWIHUMBLCN-YQEJDHNASA-N
PubChem SID: 144205156 SID: 170466837
Wikipedia Huperzine_A

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL395280



ACToR 102518-79-6
BindingDB 50199522
Brenda 4153
ChEBI 78330
DrugBank DB04864
eMolecules 26749750 26413405
EPA CompTox Dashboard DTXSID8046038
FDA SRS 0111871I23
LINCS LSM-43203
Metabolights MTBLC78330
MolPort MolPort-003-941-684 MolPort-035-394-938 MolPort-002-518-851
Nikkaji J128.649H
PDBe HUP
PubChem 854026
PubChem: Drugs of the Future 12013888
PubChem: Thomson Pharma 14774101 163596893
Selleck (-)-Huperzine-A
SureChEMBL SCHEMBL16789797 SCHEMBL136368
ZINC ZINC000009411213

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