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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL275528
CHEMBL275528
Compound Name PHENCYCLIDINE
ChEMBL Synonyms PHENCYCLIDINE | GP-121 | CI-395 | SERNYLAN | CN-25,253-2 | PCP | PHENCYCLIDINE HYDROCHLORIDE
Max Phase 0
Trade Names
Molecular Formula C17H25N

Additional synonyms for CHEMBL275528 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CCN(CC1)C2(CCCCC2)c3ccccc3
Standard InChI InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8 ...
Download InChI
Standard InChI Key JTJMJGYZQZDUJJ-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL275528

Molecule Features

CHEMBL275528 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov PHENCYCLIDINE
The Cochrane Collaboration PHENCYCLIDINE

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 CHEMBL275528. 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
CHEMBL401 Glutamate [NMDA] receptor subunit epsilon 3 Rattus norvegicus 1.000
CHEMBL2337 Glycine transporter 1 Homo sapiens 0.999
CHEMBL2014 Nociceptin receptor Homo sapiens 0.998
CHEMBL4235 11-beta-hydroxysteroid dehydrogenase 1 Homo sapiens 0.992
CHEMBL287 Sigma opioid receptor Homo sapiens 0.988
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.987
CHEMBL233 Mu opioid receptor Homo sapiens 0.986
CHEMBL2528 Butyrylcholinesterase Mus musculus 0.986
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.840
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.824
CHEMBL2954 Cathepsin S Homo sapiens 0.651
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 0.637
CHEMBL5669 Epoxide hydrolase 2 Rattus norvegicus 0.565
CHEMBL237 Kappa opioid receptor Homo sapiens 0.476
CHEMBL4153 Sigma-1 receptor Cavia porcellus 0.434
CHEMBL3910 11-beta-hydroxysteroid dehydrogenase 1 Mus musculus 0.221
CHEMBL3198 Acetylcholinesterase Mus musculus 0.203



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL401 Glutamate [NMDA] receptor subunit epsilon 3 Rattus norvegicus 1.000
CHEMBL2014 Nociceptin receptor Homo sapiens 1.000
CHEMBL233 Mu opioid receptor Homo sapiens 1.000
CHEMBL2337 Glycine transporter 1 Homo sapiens 0.999
CHEMBL287 Sigma opioid receptor Homo sapiens 0.999
CHEMBL2528 Butyrylcholinesterase Mus musculus 0.987
CHEMBL4235 11-beta-hydroxysteroid dehydrogenase 1 Homo sapiens 0.984
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.965
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.957
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 0.918
CHEMBL3746 11-beta-hydroxysteroid dehydrogenase 2 Homo sapiens 0.832
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 0.746
CHEMBL236 Delta opioid receptor Homo sapiens 0.708
CHEMBL2954 Cathepsin S Homo sapiens 0.570
CHEMBL5669 Epoxide hydrolase 2 Rattus norvegicus 0.503
CHEMBL237 Kappa opioid receptor Homo sapiens 0.442
CHEMBL4153 Sigma-1 receptor Cavia porcellus 0.392
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.355
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.224
CHEMBL228 Serotonin transporter Homo sapiens 0.224

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
243.4 243.1987 4.33 2 3.24 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.21 4.25 3.38 1 18 0.75

Structural Alerts

There are no structural alerts for CHEMBL275528

Compound Cross References

ChemSpider ChemSpider:JTJMJGYZQZDUJJ-UHFFFAOYSA-N
Wikipedia Phencyclidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL275528



ACToR 60124-79-0 77-10-1
BindingDB 83449
Brenda 74813 69107
ChEBI 8058
DrugBank DB03575
DrugCentral 2121
eMolecules 3716159
EPA CompTox Dashboard DTXSID6023446
FDA SRS J1DOI7UV76
Guide to Pharmacology 4282
IBM Patent System 24BCE19B3A409C99D2C57CD373F2AABB
KEGG Ligand C07575
Nikkaji J4.441E
PDBe 1PC
PharmGKB PA128406980
PubChem 6468
PubChem: Thomson Pharma 14749651
SureChEMBL SCHEMBL42022
ZINC ZINC000000968311

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