Cheminformatic Tools and Databases for Pharmacology

session 10954 - Total of 2 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
FLUCYTOSINE (has an active metabolite)

FLUCYTOSINE


ATC D01AE21
ATC J02AX01

ANTIINFECTIVES
ANTIFUNGAL
ANTIMETABOLITES

ORAL

Cmax 271.3 MICROMOLAR

Tmax 2 HOUR

F 83 PERCENT

VD 44.2 LITER (65 KILOGRAM)

PPB 4 PERCENT

Cl 7.8 LITER / HOUR (65 KILOGRAM)

HT 3.6 HOUR

CYTOSINE DEAMINASE

THYMIDYLATE SYNTHASE INHIBITOR CHEMBL4665 THYMIDYLATE SYNTHASE P0CS13 THYMIDYLATE SYNTHASE CRYPTOCOCCUS NEOFORMANS VAR. NEOFORMANS B-3501A ENZYME TRANSFERASEEMA

ANSM (in French)

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Chemical Probes Portal

ChEMBL
BindingDB
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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
FLUOROURACIL (is an active metabolite) (has an active metabolite)

FLUOROURACIL


ATC L01BC02
ATC L01BC52

ANTINEOPLASTIC
ANTIMETABOLITES
IMMUNOSUPPRESSIVE AGENTS

INJECTION TOPICAL

Cmax 88.3 NANOMOLAR

Tmax 1.03 HOUR

VD 14.9 LITER (65 KILOGRAM)

PPB 85 PERCENT

Cl 101.4 LITER / HOUR (65 KILOGRAM)

HT 0.12 HOUR

SOLUBILITY SPARINGLY SOLUBLE IN WATER

DIHYDROPYRIMIDINE DEHYDROGENASE [NADP+]

PDB 3KVR (TRAPPING OF AN OXOCARBENIUM ION INTERMEDIATE IN UP CRYSTALS)

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

Download experimental 3D coordinates of URF with added hydrogens

THYMIDYLATE SYNTHASE INHIBITOR CHEMBL1952 THYMIDYLATE SYNTHASE P04818 THYMIDYLATE SYNTHASE HOMO SAPIENS ENZYME TRANSFERASEEMA

ANSM (in French)

Inxight Drugs
Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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