PHENCYCLIDINE

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Search structure


Synonyms	Phencyclidine
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 ...


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

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
Hydrogen Bond Donor	0.0
Number of Rotational Bond	2.0
Polar Surface Area	3.24
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	18.0

Assay Description	Organism	Bioactivity	Reference
Drug level in Homo sapiens (human) whole blood assessed as retention time by UPLC-TOF-MS analysis	Homo sapiens	5.23 min
Displacement of [3H]alpha-BGT from nAChR in Torpedo nobiliana electric organs membranes at 1000 uM by scintillation counting method	Torpedo nobiliana	3.2 %
Displacement of [3H]alpha-BGT from nAChR in Torpedo nobiliana electric organs membranes by scintillation counting method	Torpedo nobiliana	1000000.0 nM
Displacement of [3H]PCP from nAChR in Torpedo nobiliana electric organs membranes in presence of 100 uM carbachol by scintillation counting method	Torpedo nobiliana	217.0 nM
Displacement of [3H]PCP from nAChR in Torpedo nobiliana electric organs membranes by scintillation counting method	Torpedo nobiliana	3130.0 nM
Insecticidal activity against 3 to 5 day old female Musca domestica (house fly) assessed as induction of anesthetic effect applied topically on notum measured after 24 hr	Musca domestica	None
Displacement of [3H]alpha-BGT from nAChR in Apis mellifera (honeybee) head homogenates	Apis mellifera	2550.0 nM
Displacement of [3H]PCP from nAChR in Apis mellifera (honeybee0 head homogenates	Apis mellifera	29.0 nM
Insecticidal activity against 3 to 5 day old female Musca domestica (house fly) assessed as compound level causing insect mortality per female applied topically on notum measured after 24 hr	Musca domestica	18.4 ug

Cross References

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

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).