General Information of Drug (ID: DMQBEYX)

Drug Name
Phencyclidine
Synonyms
1-(1-Phenylcyclohexyl)piperidine; Angel dust; Dust; PCP (Anesthetic); Fenciclidina; Phencyclidinum; Supergrass; Cadillac; Surfer; Crystal; Tranks; Whack; Zombie dust; Magic mist; Busy bee; Piperidine, 1-(1-phenylcyclohexyl)-; Elephant tranquilizer; 1977/10/1; Superweed; Superjoint; Cycline; Sherman; Cyclones; Scuffle; Snorts; Cl-395; Sheets; Selma; Peace; Aurora borealis; Embalming fluid; Pits; Goon; Mist; Crystal joints; Wobble weed; Rocket fuel; Horse tracks; Whacky weed; Monkey dust; Killer weed; Peace weed; Peace pill
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 243.4
Topological Polar Surface Area (xlogp) 3.6
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
ADMET Property
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [2]
Bioavailability
72% of drug becomes completely available to its intended biological destination(s) [3]
Clearance
The drug present in the plasma can be removed from the body at the rate of 5.1 mL/min/kg [4]
Half-life
The concentration or amount of drug in body reduced by one-half in 16 hours [4]
Unbound Fraction
The unbound fraction of drug in plasma is 0.35% [4]
Vd
Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 6.9 L/kg [4]
Chemical Identifiers
Formula
C17H25N
IUPAC Name
1-(1-phenylcyclohexyl)piperidine
Canonical SMILES
C1CCC(CC1)(C2=CC=CC=C2)N3CCCCC3
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
InChIKey
JTJMJGYZQZDUJJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6468
ChEBI ID
CHEBI:8058
CAS Number
77-10-1
DrugBank ID
DB03575
TTD ID
D0Q5PC
VARIDT ID
DR00661

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glutamate receptor ionotropic NMDA 1 (NMDAR1) TTLD29N NMDZ1_HUMAN Inhibitor [5]
Glutamate receptor ionotropic NMDA 2A (NMDAR2A) TTKJEMQ NMDE1_HUMAN Inhibitor [5]
Glutamate receptor ionotropic NMDA 2B (NMDAR2B) TTN9D8E NMDE2_HUMAN Inhibitor [5]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Organic cation transporter 1 (SLC22A1) DTT79CX S22A1_HUMAN Substrate [6]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Organic cation transporter 1 (SLC22A1) DTP SLC22A1 5.44E-01 1.29E-01 3.80E-01
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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