ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL416288
CHEMBL416288
Compound Name (S)APOMORPHINE
ChEMBL Synonyms S-(+)-apomorphine
Max Phase 0
Trade Names
Molecular Formula C17H17NO2

Additional synonyms for CHEMBL416288 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCc2cccc3c2[C@@H]1Cc4ccc(O)c(O)c34
Standard InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5- ...
Download InChI
Standard InChI Key VMWNQDUVQKEIOC-ZDUSSCGKSA-N

Sources

  • BindingDB Database
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL416288

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
267.3 267.1259 2.85 0 43.7 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
9.43 7.88 1.7 1.16 2 20 0.72

Structural Alerts

There are 2 structural alerts for CHEMBL416288. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VMWNQDUVQKEIOC-ZDUSSCGKSA-N
PubChem SID: 11110737 SID: 26754246

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL416288



BindingDB 29643
Brenda 199455
eMolecules 4775200
EPA CompTox Dashboard DTXSID40192615
Guide to Pharmacology 8285
LINCS LSM-43266
Mcule MCULE-5394188233
MolPort MolPort-002-507-063
Nikkaji J322.345K
PDBe 5RL
PubChem 736083
PubChem: Thomson Pharma 135609359
SureChEMBL SCHEMBL6922802
ZINC ZINC000000155525

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