Cheminformatic Tools and Databases for Pharmacology

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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
HYDROCODONE (is an active metabolite) (has an active metabolite)

HYDROCODONE


ATC R05DA03
ATC N02AJ23
ATC N02AJ22

RESPIRATORY SYSTEM
ANALGESICS
OPIOID
ANTITUSSIVE

ORAL

Cmax 76.2 NANOMOLAR

Tmax 3.4 HOUR

HT 16 HOUR

DELTA-TYPE OPIOID RECEPTOR
KAPPA-TYPE OPIOID RECEPTOR
MU-TYPE OPIOID RECEPTOR

Mu-type opioid receptor UNIPROT P35372 OPRM1

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
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
HYDROMORPHONE (is an active metabolite)

HYDROMORPHONE


ATC N02AA03
ATC N02AG04
ATC N02AA53

NERVOUS SYSTEM
ANALGESIC
NARCOTICS

INJECTION ORAL INTRAMUSCULAR INTRAVENOUS SUBCUTANEOUS

Cmax 20 NANOMOLAR

Tmax 0.73 HOUR

VD 302.9 LITER

PPB 13 PERCENT

Cl 117.6 LITER / HOUR

HT 2.3 HOUR

SOLUBILITY FREELY SOLUBLE IN WATER

MU-TYPE OPIOID RECEPTOR

Mu-type opioid receptor UNIPROT P35372 OPRM1

more at DrugCentral

EMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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