Compound Detail
CHEMBL542581
PHENCYCLIDINE HYDROCHLORIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL542581 |
| Name | PHENCYCLIDINE HYDROCHLORIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUAJNGPDPGKBGV-UHFFFAOYSA-N |
| Parent Compound | CHEMBL275528 |
| Active Moiety | CHEMBL275528 |
4
Targets
4
Activities
2
Assay Types
2
PK Parameters
4
Publications
11
Known Names
Molecular Properties
243.4
MW (Da)
4.33
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
EC50 3 meas. best 6.02
IC50 1 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
| Opioid receptors; mu & delta CHEMBL2095149 | EC50 | 6.02 | 6.02 | 961.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 5.2 | 5.2 | 6290.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | EC50 | 4.47 | 4.47 | 33637.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 2.36 | hr | Simiiformes |
| T1/2 | 2.86 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 270.0 | nM | 6.57 | Inhibitory concentration for [3H]PCP binding to rat brain homogenate relative to... | 7310819 |
| Opioid receptors; mu & delta | EC50 | = | 961.0 | nM | 6.02 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
| Mu-type opioid receptor | EC50 | = | 6290.0 | nM | 5.2 | PubChem BioAssay. Counterscreen for agonists of heterodimerization of the mu 1 (... | - |
| Delta-type opioid receptor | EC50 | = | 33637.0 | nM | 4.47 | PUBCHEM_BIOASSAY: Counterscreen for agonists of heterodimerization of the mu 1 (... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7310819 | 10.1021/jm00144a011 | Rattus norvegicus | 3 |
| 2170646 | 10.1021/jm00172a015 | Gerbillinae | 2 |
| 7252975 | 10.1021/jm00138a004 | Canis familiaris | 2 |
| 7252975 | 10.1021/jm00138a004 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine