PHENCYCLIDINE

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Synonyms
Molecule Category Free-form
UNII J1DOI7UV76
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key JTJMJGYZQZDUJJ-UHFFFAOYSA-N
Smiles C1CCN(CC1)C2(CCCCC2)c3ccccc3
InChI
InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H25N
Molecular Weight 243.39
AlogP 4.54
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 3.24
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor Nicotinic acetylcholine receptor alpha subunit
- 217-3130 - - 3.2
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Apis mellifera
- 29-2550 - - -
Torpedo nobiliana
- 217-3130 - - 3.2

Cross References

Resources Reference
ChEMBL CHEMBL275528
FDA SRS J1DOI7UV76
PDB 1PC
PubChem 6468
SureChEMBL SCHEMBL42022
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