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
MYCOPHENOLATE MOFETIL (has an active metabolite)

MYCOPHENOLATE MOFETIL


ATC L04AA06

IMMUNOMODULATING AGENT
IMMUNOSUPPRESSIVE AGENTS
INHIBITOR OF GUANOSINE NUCLEOTIDE SYNTHESIS
PREVENTION OF ORGAN REJECTION

ORAL INJECTION

F 94 PERCENT

SOLUBILITY SLIGHTLY SOLUBLE IN WATER (43 MICROGRAM / MILLILITER AT PH 7.4)

INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH)

INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR CHEMBL2111369 INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE (IMPDH) P12268 INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE 2 HOMO SAPIENS ENZYME REDUCTASEANSM (in French)

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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
MYCOPHENOLIC ACID (is an active metabolite)

MYCOPHENOLIC ACIDNATURAL MOLECULE (link)


ATC L04AA06

IMMUNOMODULATING AGENT
IMMUNOSUPPRESSANTS
INHIBITOR OF GUANOSINE NUCLEOTIDE SYNTHESIS
PREVENTION OF ORGAN REJECTION

ORAL

Cmax 81.5 MICROMOLAR

F 93 PERCENT

VD 112 LITER

PPB 98 PERCENT

Cl 8.4 LITER / HOUR

HT 12 HOUR

SOLUBILITY HIGHLY SOLUBLE IN WATER

INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH)

PDB 4FXS (INOSINE 5'-MONOPHOSPHATE DEHYDROGENASE FROM VIBRIO CHOLERAE COMPLEXED WITH IMP AND MYCOPHENOLIC ACID)

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

Download experimental 3D coordinates of MOA with added hydrogens

INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR CHEMBL2111369 INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE (IMPDH) P12268 INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE 2 HOMO SAPIENS ENZYME REDUCTASEANSM (in French)

Dailymed
Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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