Cheminformatic Tools and Databases for Pharmacology

session 49542 - 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
CALCITRIOL (is an active metabolite)

CALCITRIOL


ATC A11CC04
ATC D05AX03

METABOLISM
ANTIHYPOCALCEMIC AGENTS
BONE DENSITY CONSERVATION AGENTS
VITAMINS (VITAMIN D)

ORAL INJECTION TOPICAL

Cmax 0.14 NANOMOLAR

Tmax 4.5 HOUR

PPB 99.9 PERCENT

HT 6.5 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER

VITAMIN D3 RECEPTOR

PDB 1DB1 (CRYSTAL STRUCTURE OF THE NUCLEAR RECEPTOR FOR VITAMIN D COMPLEXED TO VITAMIN D)

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

Download experimental 3D coordinates of VDX with added hydrogens

VITAMIN D RECEPTOR AGONIST CHEMBL1977 VITAMIN D RECEPTOR P11473 VITAMIN D3 RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR1 NR1I NR1I1ANSM (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
CHOLECALCIFEROL (has an active metabolite)

CHOLECALCIFEROL


ATC A11CC05
ATC M05BB03
ATC A11CC55
ATC M05BB09
ATC M05BB07
ATC M05BX53

METABOLISM
VITAMIN D3
ANTIARTHRITIC
ANTIHYPOCALCEMIC AGENTS
ANTIHYPOPARATHYROID AGENTS
BONE DENSITY CONSERVATION AGENTS
SECOSTEROL

INTRAVENOUS ORAL

Cmax 10.4 NANOMOLAR

Tmax 10.6 HOUR

HT 14 HOUR

SOLUBILITY PRACTICALLY INSOLUBLE IN WATER

VITAMIN D3-25-HYDROXYLASE (25-OHASE)

VITAMIN D RECEPTOR AGONIST CHEMBL1977 VITAMIN D RECEPTOR P11473 VITAMIN D3 RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR1 NR1I NR1I1ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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