Cheminformatic Tools and Databases for Pharmacology

session 89006 - Total of 3 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
DESLORATADINE (is an active metabolite) (has an active metabolite)

DESLORATADINE


ATC R06AX27

RESPIRATORY
HISTAMINE H1 RECEPTOR ANTAGONIST
ANTIHISTAMINE
CHOLINERGIC ANTAGONISTS

ORAL

Cmax 12.8 NANOMOLAR

Tmax 3 HOUR

PPB 84 PERCENT

HT 27 HOUR

SOLUBILITY SLIGHTLY SOLUBLE IN WATER

HISTAMINE H1 RECEPTOR

PDB 8X64 (CRYOEM STRUCTURE OF THE HISTAMINE H1 RECEPTOR-BRIL, ANTI BRIL FAB COMPLEX WITH DESLORATADINE)

LIGAND CODE = Y5R (link to the list of PDB complexes)

Download experimental 3D coordinates of Y5R with added hydrogens

Histamine H1 receptor UNIPROT P35367 HRH1

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
LORATADINE (has an active metabolite)

LORATADINE


ATC R06AX13

RESPIRATORY SYSTEM
ANTIHISTAMINE
ANTI-ALLERGIC AGENTS
ANTIPRURITICS
HISTAMINE H1 ANTAGONISTS, NON-SEDATING

ORAL

Cmax 10 NANOMOLAR (PMID18621671)

Tmax 1.3 HOUR

PPB 98 PERCENT

HT 8.4 HOUR

SOLUBILITY NOT SOLUBLE IN WATER

HISTAMINE H1 RECEPTOR

Histamine H1 receptor UNIPROT P35367 HRH1

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 DESLORATADINE (is an active metabolite)

DESLORATADINE


ATC R06AX27

RESPIRATORY
HISTAMINE H1 RECEPTOR ANTAGONIST
ANTIHISTAMINE
CHOLINERGIC ANTAGONISTS

-

Tmax 3 HOUR

PPB 87 PERCENT

HT 27 HOUR

HISTAMINE H1 RECEPTOR

Histamine H1 receptor UNIPROT P35367 HRH1

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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