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
OMACETAXINE MEPESUCCINATE

OMACETAXINE MEPESUCCINATE


ATC L01XX40

ANTINEOPLASTIC
TREATMENT OF CHRONIC MYELOID LEUKEMIA (CML)
PROTEIN SYNTHESIS INHIBITOR
OMACETAXINE MEPESUCCINATE BINDS TO THE A-SITE CLEFT IN THE PEPTIDYL-TRANSFERASE CENTER OF THE LARGE RIBOSOMAL SUBUNIT FROM A STRAIN OF ARCHAEABACTERIA
HYDROLYZED TO 4-DMHHT VIA PLASMA ESTERASES

SUBCUTANEOUS

VD 141 LITER

PPB 50 PERCENT

Cl 16.3 LITER / HOUR (EQN)

HT 6 HOUR

RIBOSOME

PDB OBSOLETE (- 4UL7 CRYSTAL STRUCTURE OF HOMOHARRINGTONINE BOUND TO THE YEAST 80S RIBOSOME)

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

Download experimental 3D coordinates of HMT with added hydrogens

PROTEIN SYNTHESIS INHIBITOREMA

ANSM (in French)

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Drugs.com

SIDER side effects

Chemical Probes Portal

ChEMBL
BindingDB
DrugBank



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