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
CYPROHEPTADINE

CYPROHEPTADINE


ATC R06AX02

RESPIRATORY SYSTEM
ANTIHISTAMINE
ANTISEROTONERGIC AGENT
ANTI-ALLERGIC AGENTS
HISTAMINE H1 ANTAGONISTS
SEROTONIN ANTAGONISTS
ANTICHOLINERGIC
SEDATIVE

ORAL

Tmax 7.5 HOUR

HT 12.5 HOUR

SOLUBILITY SOLUBLE IN WATER

HISTAMINE H1 RECEPTOR
5-HYDROXYTRYPTAMINE 2A RECEPTOR

PDB 5AYF (CRYSTAL STRUCTURE OF SET7/9 IN COMPLEX WITH CYPROHEPTADINE)

LIGAND CODE = C7H (link to the list of PDB complexes)

Download experimental 3D coordinates of C7H with added hydrogens

MUSCARINIC ACETYLCHOLINE RECEPTOR M4 P08173 MUSCARINIC ACETYLCHOLINE RECEPTOR M4 HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 SMALLMOL MONOAMINE RECEPTOR ACETYLCHOLINE RECEPTORANSM (in French)

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