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
DILTIAZEM

DILTIAZEM


ATC C08DB01
ATC C05AE03

CARDIOVASCULAR
CALCIUM ION CELLULAR INFLUX INHIBITOR
CORONARY VASODILATOR
ANTIHYPERTENSIVE AGENTS
CALCIUM CHANNEL BLOCKERS

ORAL INJECTION INTRAVENOUS

F 40 PERCENT

VD 266 LITER (65 KILOGRAM)

PPB 75 PERCENT

Cl 50.7 LITER / HOUR (65 KILOGRAM)

HT 3.75 HOUR

SOLUBILITY SOLUBLE IN WATER

VOLTAGE-DEPENDENT CALCIUM CHANNEL

PDB 6JPB (RABBIT CAV1.1-DILTIAZEM COMPLEX)

LIGAND CODE = C9F (link to the list of PDB complexes)

Download experimental 3D coordinates of C9F with added hydrogens

VOLTAGE-GATED L-TYPE CALCIUM CHANNEL BLOCKER CHEMBL2095229 VOLTAGE-GATED L-TYPE CALCIUM CHANNEL O60840 VOLTAGE-DEPENDENT L-TYPE CALCIUM CHANNEL SUBUNIT ALPHA-1F HOMO SAPIENS ION CHANNEL VGC VG CAANSM (in French)

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