Cheminformatic Tools and Databases for Pharmacology

session 91671 - Total of 5 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
ESTRADIOL (is an active metabolite) (has an active metabolite)

ESTRADIOL


ATC G03CA03
ATC G03CA53
ATC G03AB08
ATC G03AA17
ATC G03AA14

GENITO
ANTI-MENOPAUSAL AGENTS
ANTICHOLESTEREMIC AGENTS
ESTROGENS

TRANSDERMAL VAGINAL ORAL TOPICAL INJECTION

Cmax 639.7 PICOMOLAR

Tmax 1 HOUR

VD 78 LITER (65 KILOGRAM)

PPB 98.4 PERCENT

Cl 117 LITER / HOUR (65 KILOGRAM)

HT 1.7 HOUR

ESTROGEN RECEPTOR

PDB 1FDU (HUMAN 17-BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 MUTANT H221L COMPLEXED WITH ESTRADIOL AND NADP+)

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

Download experimental 3D coordinates of EST with added hydrogens

ESTROGEN RECEPTOR ALPHA AGONIST CHEMBL206 ESTROGEN RECEPTOR ALPHA P03372 ESTROGEN RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR3 NR3A NR3A1ANSM (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
ESTRADIOL ACETATE (has an active metabolite)

ESTRADIOL ACETATE


ATC G03CA03
ATC G03CA53
ATC G03AB08
ATC G03AA17
ATC G03AA14

GENITO
ESTROGEN
RAPIDLY HYDROLYZED IN ESTRADIOL

VAGINAL ORAL ESTROGEN RECEPTOR

ESTROGEN RECEPTOR ALPHA AGONIST CHEMBL206 ESTROGEN RECEPTOR ALPHA P03372 ESTROGEN RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR3 NR3A NR3A1ANSM (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
ESTRADIOL CYPIONATE (has an active metabolite)

ESTRADIOL CYPIONATE


ATC G03CA03
ATC G03CA53
ATC G03AB08
ATC G03AA17
ATC G03AA14

GENITO
ESTROGEN
RAPIDLY HYDROLYZED IN ESTRADIOL

INJECTION INTRAMUSCULAR ESTROGEN RECEPTOR

ESTROGEN RECEPTOR ALPHA AGONIST CHEMBL206 ESTROGEN RECEPTOR ALPHA P03372 ESTROGEN RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR3 NR3A NR3A1ANSM (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
ESTRADIOL VALERATE (has an active metabolite)

ESTRADIOL VALERATE


ATC G03CA03
ATC G03CA53
ATC G03AB08
ATC G03AA17
ATC G03AA14

GENITO
ESTROGEN
RAPIDLY HYDROLYZED IN ESTRADIOL

INJECTION ORAL ESTROGEN RECEPTOR

ESTROGEN RECEPTOR ALPHA AGONIST CHEMBL206 ESTROGEN RECEPTOR ALPHA P03372 ESTROGEN RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR3 NR3A NR3A1ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank

5 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
PRASTERONE (has an active metabolite)

PRASTERONE


ATC A14AA07
ATC G03EA03
ATC G03XX01

HORMONES
TREATMENT OF MODERATE TO SEVERE DYSPAREUNIA, A SYMPTOM OF VULVAR AND VAGINAL ATROPHY, DUE TO MENOPAUSE
STEROID
IS CONVERTED INTO ACTIVE ANDROGENS AND/OR ESTROGENS

VAGINAL

Cmax 15 NANOMOLAR

SOLUBILITY INSOLUBLE IN WATER

HYDROXYSTEROID DEHYDROGENASES
5ALPHA-REDUCTASES
AROMATASES

PDB 1Q22 (CRYSTAL STRUCTURE OF HUMAN CHOLESTEROL SULFOTRANSFERASE (SULT2B1B) IN THE PRESENCE OF DHEA AND PAP)

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

Download experimental 3D coordinates of AND with added hydrogens

Sex hormone-binding globulin P04278 (SHBG_HUMAN)ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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