Cheminformatic Tools and Databases for Pharmacology

session 28762 - 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
DOXERCALCIFEROL (has an active metabolite)

DOXERCALCIFEROL


ATC H05BX03

HORMONES
SYNTHETIC VITAMIN D2 ANALOG
VITAMIN D PROHORMONE
PARATHYROID HORMONE REGULATOR
CALCIUM REGULATOR

ORAL INJECTION

SOLUBILITY RELATIVELY INSOLUBLE IN WATER

VITAMIN D3 RECEPTOR

PDB 3DL9 (CRYSTAL STRUCTURE OF CYP2R1 IN COMPLEX WITH 1-ALPHA-HYDROXY-VITAMIN D2)

LIGAND CODE = V2H (link to the list of PDB complexes)

Download experimental 3D coordinates of V2H 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
M DOXERCALCIFEROL (is an active metabolite)

DOXERCALCIFEROL


ATC H05BX03

HORMONES
SYNTHETIC VITAMIN D2 ANALOG
VITAMIN D PROHORMONE
PARATHYROID HORMONE REGULATOR
CALCIUM REGULATOR

-

Tmax 8 HOUR

HT 34.5 HOUR

VITAMIN D3 RECEPTOR

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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