Cheminformatic Tools and Databases for Pharmacology

session 35553 - 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
CARBAMAZEPINE (has an active metabolite)

CARBAMAZEPINE


ATC N03AF01

NERVOUS SYSTEM
ANTICONVULSANT
ANALGESIC
ANTIMANIC AGENTS
SPECIFIC ANALGESIC FOR TRIGEMINAL NEURALGIA
CARBAMAZEPINE INDUCES ITS OWN METABOLISM
MECHANISM OF ACTION UNKNOWN (NUMEROUS PHARMACOLOGICAL EFFECTS HAVE BEEN DESCRIBED MODULATION OF ION CHANNELS (SODIUM AND CALCIUM), RECEPTOR-MEDIATED NEUROTRANSMISSION (GABAERGIC, GLUTAMATERGIC, AND MONOAMINERGIC), AND INTRACELLULAR SIGNALING PATHWAYS)

ORAL INTRAVENOUS

Cmax 8 MICROMOLAR

Tmax 19 HOUR

F 89 PERCENT

VD 74.7 LITER (65 KILOGRAM)

PPB 76 PERCENT

Cl 4.8 LITER / HOUR

HT 37.5 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER

VOLTAGE-GATED SODIUM CHANNELS

PDB 6TFB (CARBAMAZEPINE BINDS FRIZZLED8)

LIGAND CODE = N6W (link to the list of PDB complexes)

Download experimental 3D coordinates of N6W with added hydrogens

NEURONAL ACETYLCHOLINE RECEPTOR ALPHA2/BETA4 P30926 NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT BETA-4 HOMO SAPIENS ION CHANNEL LGIC ACH CHRN BETAANSM (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
M CARBAMAZEPINE (is an active metabolite)

CARBAMAZEPINE


ATC N03AF01

NERVOUS SYSTEM
ANTICONVULSANT
ANALGESIC
ANTIMANIC AGENTS
SPECIFIC ANALGESIC FOR TRIGEMINAL NEURALGIA
CARBAMAZEPINE INDUCES ITS OWN METABOLISM
MECHANISM OF ACTION UNKNOWN (NUMEROUS PHARMACOLOGICAL EFFECTS HAVE BEEN DESCRIBED MODULATION OF ION CHANNELS (SODIUM AND CALCIUM), RECEPTOR-MEDIATED NEUROTRANSMISSION (GABAERGIC, GLUTAMATERGIC, AND MONOAMINERGIC), AND INTRACELLULAR SIGNALING PATHWAYS)

-

Cmax 8.7 MICROMOLAR

Tmax 14 HOUR

PPB 50 PERCENT

HT 34 HOUR

VOLTAGE-GATED SODIUM CHANNELS

NEURONAL ACETYLCHOLINE RECEPTOR ALPHA2/BETA4 P30926 NEURONAL ACETYLCHOLINE RECEPTOR SUBUNIT BETA-4 HOMO SAPIENS ION CHANNEL LGIC ACH CHRN BETAANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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