Cheminformatic Tools and Databases for Pharmacology

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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
LEVOCARNITINE

LEVOCARNITINE


ATC A16AA01

METABOLISM
CARNITINE REPLENISHER
FACILITATE LONG-CHAIN FATTY ACID ENTRY INTO CELLULAR MITOCHONDRIA
LEVOCARNITINE CLEARS ACYLCOA COMPOUND

ORAL INJECTION

Cmax 80 MICROMOLAR

Tmax 3.3 HOUR

F 15 PERCENT

VD 100.4 LITER (EQN)

PPB 0 PERCENT

Cl 4 LITER / HOUR

HT 17.4 HOUR

SOLUBILITY READILY SOLUBLE IN WATER

MITOCHONDRIAL CARNITINE/ACYLCARNITINE CARRIER PROTEIN
ORGANIC CATION/CARNITINE TRANSPORTER

PDB 2H3U (CRYSTAL STRUCTURE OF MURINE CARNITINE ACETYLTRANSFERASE IN COMPLEX WITH CARNITINE AND COA)

LIGAND CODE = 152 (link to the list of PDB complexes)

Download experimental 3D coordinates of 152 with added hydrogens

Carnitine O-palmitoyltransferase 1, liver isoform P50416ANSM (in French)

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SIDER side effects

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BindingDB
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