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
M TRAMADOL (is an active metabolite)

TRAMADOL


ATC N02AX02
ATC N02AX52
ATC N02AJ14
ATC N02AJ15
ATC N02AJ13

NERVOUS SYSTEM
NARCOTICS
CENTRALLY ACTING OPIOID ANALGESIC
MU OPIOID RECEPTOR AGONIST

-

Cmax 441 NANOMOLAR

Tmax 2.4 HOUR

HT 7.4 HOUR

MU-TYPE OPIOID RECEPTOR

MU OPIOID RECEPTOR AGONIST CHEMBL233 MU OPIOID RECEPTOR P35372 MU-TYPE OPIOID RECEPTOR HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 PEPTIDE SHORT PEPTIDE OPIOID RECEPTORANSM (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 TRAMADOL (is an active metabolite)

TRAMADOL


ATC N02AX02
ATC N02AX52
ATC N02AJ14
ATC N02AJ15
ATC N02AJ13

NERVOUS SYSTEM
NARCOTICS
CENTRALLY ACTING OPIOID ANALGESIC
MU OPIOID RECEPTOR AGONIST

-

Cmax 441 NANOMOLAR

Tmax 2.4 HOUR

HT 7.4 HOUR

MU-TYPE OPIOID RECEPTOR

MU OPIOID RECEPTOR AGONIST CHEMBL233 MU OPIOID RECEPTOR P35372 MU-TYPE OPIOID RECEPTOR HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 PEPTIDE SHORT PEPTIDE OPIOID RECEPTORANSM (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
M TRAMADOL (is an active metabolite)

TRAMADOL


ATC N02AX02
ATC N02AX52
ATC N02AJ14
ATC N02AJ15
ATC N02AJ13

NERVOUS SYSTEM
NARCOTICS
CENTRALLY ACTING OPIOID ANALGESIC
MU OPIOID RECEPTOR AGONIST

-

Cmax 441 NANOMOLAR

Tmax 2.4 HOUR

HT 7.4 HOUR

MU-TYPE OPIOID RECEPTOR

MU OPIOID RECEPTOR AGONIST CHEMBL233 MU OPIOID RECEPTOR P35372 MU-TYPE OPIOID RECEPTOR HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 PEPTIDE SHORT PEPTIDE OPIOID RECEPTORANSM (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
M TRAMADOL (is an active metabolite)

TRAMADOL


ATC N02AX02
ATC N02AX52
ATC N02AJ14
ATC N02AJ15
ATC N02AJ13

NERVOUS SYSTEM
NARCOTICS
CENTRALLY ACTING OPIOID ANALGESIC
MU OPIOID RECEPTOR AGONIST

-

Cmax 441 NANOMOLAR

Tmax 2.4 HOUR

HT 7.4 HOUR

MU-TYPE OPIOID RECEPTOR

MU OPIOID RECEPTOR AGONIST CHEMBL233 MU OPIOID RECEPTOR P35372 MU-TYPE OPIOID RECEPTOR HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 PEPTIDE SHORT PEPTIDE OPIOID RECEPTORANSM (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
TRAMADOL (has an active metabolite)

TRAMADOL


ATC N02AX02
ATC N02AX52
ATC N02AJ14
ATC N02AJ15
ATC N02AJ13

NERVOUS SYSTEM
NARCOTICS
CENTRALLY ACTING OPIOID ANALGESIC
MU OPIOID RECEPTOR AGONIST

ORAL

Cmax 2.25 MICROMOLAR

Tmax 2.3 HOUR

F 75 PERCENT

VD 188 LITER (65 KILOGRAM)

PPB 20 PERCENT

Cl 23 LITER / HOUR (65 KILOGRAM)

HT 6.7 HOUR

SOLUBILITY READILY SOLUBLE IN WATER (LOGP=1.35)

MU-TYPE OPIOID RECEPTOR

MU OPIOID RECEPTOR AGONIST CHEMBL233 MU OPIOID RECEPTOR P35372 MU-TYPE OPIOID RECEPTOR HOMO SAPIENS MEMBRANE RECEPTOR 7TM1 PEPTIDE SHORT PEPTIDE OPIOID RECEPTORANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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