Cheminformatic Tools and Databases for Pharmacology

session 84563 - Total of 2 hits - Display   hits per page:

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1 INNClassRoute (list)PK parameters= Cmax; Tmax; F: bioavailability; t1/2: half-life; VD: volume of distribution; Cl: clearance; PPB: plasma protein binding;(EQN means that value was calculated using VD=(Cl*t1/2)/0.693)Primary Target and PDB code of Protein-Drug complexTargets from DrugCentral Links
FOSPROPOFOL DISCONTINUED (has an active metabolite)

FOSPROPOFOL


ATC N01AX10

NERVOUS SYSTEM
SEDATIVE
HYPNOTIC
ANESTHESIC
METABOLIZED BY ALKALINE PHOSPHATASES INTO PROPOFOL

INTRAVENOUS

Cmax 732.6 MICROMOLAR (18 MILLIGRAM/KG)

VD 21.4 LITER (65 KILOGRAM)

PPB 98 PERCENT

Cl 18.2 LITER / HOUR (65 KILOGRAM)

HT 0.81 HOUR (18 MILLIGRAM/KG)

SOLUBILITY WATER SOLUBLE PRODRUG OF PROPOFOL

GAMMA-AMINOBUTYRIC-ACID RECEPTOR SUBUNIT ALPHA-1 (GABA(A))
BETA-ADRENOCEPTOR (BETA-AR) (PMID21793316)

GABA-A RECEPTOR O14764 GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT DELTA HOMO SAPIENS ION CHANNEL LGIC GABAAANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank

2 INNClassRoute (list)PK parameters= Cmax; Tmax; F: bioavailability; t1/2: half-life; VD: volume of distribution; Cl: clearance; PPB: plasma protein binding;(EQN means that value was calculated using VD=(Cl*t1/2)/0.693)Primary Target and PDB code of Protein-Drug complexTargets from DrugCentral Links
PROPOFOL (is an active metabolite)

PROPOFOL


ATC N01AX10

NERVOUS SYSTEM
ANESTHETIC
ANTICONVULSANTS
ANTIEMETICS
FREE RADICAL SCAVENGERS
HYPNOTICS
SEDATIVES
GABA-A AGONIST

INJECTION

Cmax 21.9 MICROMOLAR (18 MILLIGRAM/KG)

VD 305 LITER (65 KILOGRAM)

PPB 98 PERCENT

Cl 150 LITER / HOUR

HT 3.2 HOUR

SOLUBILITY SLIGHTLY SOLUBLE IN WATER

GAMMA-AMINOBUTYRIC-ACID RECEPTOR SUBUNIT ALPHA-1 (GABA(A))
BETA-ADRENOCEPTOR (BETA-AR) (PMID21793316)

PDB 5MVN (X-RAY STRUCTURE OF THE M205W MUTANT OF GLIC IN COMPLEX WITH PROPOFOL)

LIGAND CODE = PFL (link to the list of PDB complexes)

Download experimental 3D coordinates of PFL with added hydrogens

GABA-A RECEPTOR ANION CHANNEL POSITIVE ALLOSTERIC MODULATOR CHEMBL2093872 GABA-A RECEPTOR ANION CHANNEL O00591 GAMMA-AMINOBUTYRIC ACID RECEPTOR SUBUNIT PI HOMO SAPIENS ION CHANNEL LGIC GABAAANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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