Cheminformatic Tools and Databases for Pharmacology

session 68553 - Total of 4 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
LEVONORGESTREL (is an active metabolite)

LEVONORGESTREL


ATC G03AC03
ATC G03AD01
ATC G03FA11
ATC G03FB09
ATC G03AA07
ATC G03AB03

GENITO
PROGESTIN
CONTRACEPTIVES

ORAL IMPLANTATION INTRAUTERINE TRANSDERMAL

Cmax 8.9 NANOMOLAR

Tmax 1.6 HOUR

F 100 PERCENT

VD 172.9 LITER (65 KILOGRAM)

PPB 97 PERCENT

Cl 3.4 LITER / HOUR (65 KILOGRAM)

HT 36.4 HOUR

PROGESTERONE RECEPTOR

PDB 3D90 (CRYSTAL STRUCTURE OF THE HUMAN PROGESTERONE RECEPTOR LIGAND-BINDING DOMAIN BOUND TO LEVONORGESTREL)

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

Download experimental 3D coordinates of NOG with added hydrogens

PROGESTERONE RECEPTOR AGONIST CHEMBL208 PROGESTERONE RECEPTOR P06401 PROGESTERONE RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR3 NR3C NR3C3ANSM (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
NORELGESTROMIN (is an active metabolite)

NORELGESTROMIN


ATC G03AA13

GENITO
CONTRACEPTIVE

TRANSDERMAL

Cmax 2.8 NANOMOLAR

Tmax 2 HOUR

PPB 97 PERCENT

HT 32.1 HOUR

PROGESTERONE RECEPTOR

PROGESTERONE RECEPTOR AGONIST CHEMBL208 PROGESTERONE RECEPTOR P06401 PROGESTERONE RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR3 NR3C NR3C3ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank

3 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
NORGESTIMATE (has an active metabolite)

NORGESTIMATE


ATC G03AA11
ATC G03FA13
ATC G03AB09

GENITO
PROGESTIN
CONTRACEPTIVES

ORAL PROGESTERONE RECEPTOR
ANDROGEN RECEPTOR

PROGESTERONE RECEPTOR AGONIST CHEMBL208 PROGESTERONE RECEPTOR P06401 PROGESTERONE RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR3 NR3C NR3C3ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank

4 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
NORGESTREL (is an active metabolite)

NORGESTREL


ATC G03AA06
ATC G03FA10
ATC G03FB01

GENITO
CONTRACEPTIVE
PROGESTIN

ORAL

Cmax 8.9 NANOMOLAR

PPB 97 PERCENT

HT 36.4 HOUR

SOLUBILITY INSOLUBLE IN WATER

PROGESTERONE RECEPTOR

PROGESTERONE RECEPTOR AGONIST CHEMBL208 PROGESTERONE RECEPTOR P06401 PROGESTERONE RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR3 NR3C NR3C3ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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