Cheminformatic Tools and Databases for Pharmacology

session 26198 - 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
M TRAMADOL (is an active metabolite)

TRAMADOL


ATC N02AX02
ATC N02AJ16
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-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
M TRAMADOL (is an active metabolite)

TRAMADOL


ATC N02AX02
ATC N02AJ16
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-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

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 N02AJ16
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-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

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 N02AJ16
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-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

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 N02AJ16
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

PDB 6M47 (X-RAY STRUCTURE OF A DROSOPHILA DOPAMINE TRANSPORTER WITH NET-LIKE MUTATIONS (D121G, S426M, F471L) IN TRAMADOL BOUND FORM)

LIGAND CODE = F1U (link to the list of PDB complexes)

Download experimental 3D coordinates of F1U with added hydrogens

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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