Cheminformatic Tools and Databases for Pharmacology

session 80438 - Total of 6 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
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

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
TESTOSTERONE (is an active metabolite)

TESTOSTERONENATURAL MOLECULE (link)


ATC G03BA03
ATC G03EA02

GENITO
ANDROGENS
TREATMENT OF HYPOGONADISM

TRANSDERMAL BUCCAL IMPLANTATION INJECTION NASAL

Cmax 31.4 NANOMOLAR

Tmax 8 HOUR

VD 65 LITER (65 KILOGRAM)

PPB 98 PERCENT

Cl 62.4 LITER / HOUR (65 KILOGRAM)

HT 192 HOUR

ANDROGEN RECEPTOR

PDB 1AFS (RECOMBINANT RAT LIVER 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE (3-ALPHA-HSD) COMPLEXED WITH NADP AND TESTOSTERONE)

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

Download experimental 3D coordinates of TES with added hydrogens

ANDROGEN RECEPTOR AGONIST CHEMBL1871 ANDROGEN RECEPTOR P10275 ANDROGEN RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR3 NR3C NR3C4ANSM (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
TESTOSTERONE CYPIONATE (has an active metabolite)

TESTOSTERONE CYPIONATE


ATC G03BA03
ATC G03EA02

HORMONES
ANDROGENIC
HYDROLYSED BY ESTERASES

INJECTION INTRAMUSCULAR

SOLUBILITY INSOLUBLE IN WATER

ANDROGEN RECEPTOR

ANDROGEN RECEPTOR AGONIST CHEMBL1871 ANDROGEN RECEPTOR P10275 ANDROGEN RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR3 NR3C NR3C4ANSM (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
TESTOSTERONE ENANTHATE (has an active metabolite)

TESTOSTERONE ENANTHATE


ATC G03BA03
ATC G03EA02

HORMONES
ANDROGENIC
HYDROLYSED BY ESTERASES

INJECTION SUBCUTANEOUS

SOLUBILITY INSOLUBLE IN WATER

ANDROGEN RECEPTOR

ANDROGEN RECEPTOR AGONIST CHEMBL1871 ANDROGEN RECEPTOR P10275 ANDROGEN RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR3 NR3C NR3C4ANSM (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
TESTOSTERONE PROPIONATE DISCONTINUED (has an active metabolite)

TESTOSTERONE PROPIONATE


ATC G03BA03
ATC G03EA02

GENITO
ANDROGENIC
RAPIDLY HYDROLYZED IN TESTOSTERONE

INJECTION ANDROGEN RECEPTOR

ANDROGEN RECEPTOR AGONIST CHEMBL1871 ANDROGEN RECEPTOR P10275 ANDROGEN RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR3 NR3C NR3C4ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank

6 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
TESTOSTERONE UNDECANOATE (has an active metabolite)

TESTOSTERONE UNDECANOATE


ATC G03BA03
ATC G03EA02

GENITO
ANDROGEN INDICATED FOR TESTOSTERONE REPLACEMENT THERAPY IN ADULT MALES
CLIVAGE BY TISSUE ESTERASES
RAPIDLY HYDROLYZED IN TESTOSTERONE

INTRAMUSCULAR ORAL

SOLUBILITY INSOLUBLE IN WATER

ANDROGEN RECEPTOR

ANDROGEN RECEPTOR AGONIST CHEMBL1871 ANDROGEN RECEPTOR P10275 ANDROGEN RECEPTOR HOMO SAPIENS TRANSCRIPTION FACTOR NUCLEAR RECEPTOR NR3 NR3C NR3C4ANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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