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
DIDANOSINE DISCONTINUED (has an active metabolite)

DIDANOSINE


ATC J05AF02

ANTIINFECTIVES
ANTIVIRAL
ANTI-HIV AGENTS
ANTIMETABOLITES
REVERSE TRANSCRIPTASE INHIBITORS

ORAL

Tmax 0.8 HOUR

F 42 PERCENT

VD 70.3 LITER

PPB 5 PERCENT

Cl 50 LITER / HOUR

HT 1.5 HOUR

SOLUBILITY IN WATER 27.3 MILLIGRAM / MILLILITER (PH=6)

REVERSE TRANSCRIPTASE (GAG-POL POLYPROTEIN)

GAG-POL POLYPROTEIN P03369 GAG-POL POLYPROTEIN HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 GROUP M SUBTYPE B (ISOLATE ARV2/SF2) UNCLASSIFIEDANSM (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 DIDANOSINE (is an active metabolite)

DIDANOSINE


ATC J05AF02

ANTIINFECTIVES
ANTIVIRAL
ANTI-HIV AGENTS
ANTIMETABOLITES
REVERSE TRANSCRIPTASE INHIBITORS

- REVERSE TRANSCRIPTASE (GAG-POL POLYPROTEIN)

GAG-POL POLYPROTEIN P03369 GAG-POL POLYPROTEIN HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 GROUP M SUBTYPE B (ISOLATE ARV2/SF2) UNCLASSIFIEDANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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