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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL284237
CHEMBL284237
Compound Name DIZOCILPINE
ChEMBL Synonyms DIZOCILPINE MALEATE | MK-801 | DIZOCILPINE
Max Phase 0
Trade Names
Molecular Formula C16H15N

Additional synonyms for CHEMBL284237 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@]12N[C@H](Cc3ccccc13)c4ccccc24
Standard InChI InChI=1S/C16H15N/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5 ...
Download InChI
Standard InChI Key LBOJYSIDWZQNJS-CVEARBPZSA-N

Sources

  • AstraZeneca Deposited Data
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL284237

Molecule Features

CHEMBL284237 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov DIZOCILPINE
The Cochrane Collaboration DIZOCILPINE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL284237. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL4153 Sigma-1 receptor Cavia porcellus 0.982
CHEMBL233 Mu opioid receptor Homo sapiens 0.981
CHEMBL330 Glutamate (NMDA) receptor subunit zeta 1 Rattus norvegicus 0.980
CHEMBL2014 Nociceptin receptor Homo sapiens 0.973
CHEMBL287 Sigma opioid receptor Homo sapiens 0.950
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.929
CHEMBL237 Kappa opioid receptor Homo sapiens 0.754
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.557
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.400
CHEMBL270 Mu opioid receptor Rattus norvegicus 0.317
CHEMBL236 Delta opioid receptor Homo sapiens 0.258
CHEMBL3996 Oxytocin receptor Rattus norvegicus 0.226



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.998
CHEMBL233 Mu opioid receptor Homo sapiens 0.997
CHEMBL4153 Sigma-1 receptor Cavia porcellus 0.991
CHEMBL237 Kappa opioid receptor Homo sapiens 0.989
CHEMBL2014 Nociceptin receptor Homo sapiens 0.982
CHEMBL287 Sigma opioid receptor Homo sapiens 0.966
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.935
CHEMBL330 Glutamate (NMDA) receptor subunit zeta 1 Rattus norvegicus 0.933
CHEMBL236 Delta opioid receptor Homo sapiens 0.912
CHEMBL270 Mu opioid receptor Rattus norvegicus 0.869
CHEMBL3766 Vasopressin V2 receptor Rattus norvegicus 0.769
CHEMBL240 HERG Homo sapiens 0.701
CHEMBL222 Norepinephrine transporter Homo sapiens 0.595
CHEMBL3996 Oxytocin receptor Rattus norvegicus 0.505
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.484
CHEMBL238 Dopamine transporter Homo sapiens 0.434
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.422
CHEMBL269 Delta opioid receptor Rattus norvegicus 0.413
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.373
CHEMBL220 Acetylcholinesterase Homo sapiens 0.364

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
221.3 221.1204 3.15 0 12.03 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.96 3 2.34 2 17 0.72

Structural Alerts

There are no structural alerts for CHEMBL284237

Compound Cross References

ChemSpider ChemSpider:LBOJYSIDWZQNJS-CVEARBPZSA-N
PubChem SID: 11111403 SID: 11111404 SID: 124882688 SID: 26751971 SID: 50104646 SID: 90341814
Wikipedia Dizocilpine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL284237



ACToR 77086-21-6
BindingDB 50344263 50030386
Brenda 147792 68901 147736
ChEBI 34725
EPA CompTox Dashboard DTXSID3048447
FDA SRS 7PY8KH681I
Guide to Pharmacology 2403
IBM Patent System 94BFB41A39ADEEBA1E29BE8590334194
KEGG Ligand C13737
LINCS LSM-5688
MolPort MolPort-035-395-721
Nikkaji J246.194C
PDBe BMK
PubChem 180081
PubChem: Thomson Pharma 16107416 16180231
Selleck dizocilpine-mk-801
SureChEMBL SCHEMBL34528
ZINC ZINC000025757829

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