WOMBAT-PK

Your Reference Database for Clinical Pharmacokinetics and Drug Target Information

WOMBAT-PK 2009 contains 1230 entries (1230 unique SMILES), totaling over 13,000 clinical pharmacokinetic measurements. Of these 850 are orally formulated, 206 are injectable, 49 are for topical administration, and 35 are clinically important metabolites.

WOMBAT-PK 2009 drugs are indexed from multiple literature sources (Goodman & Gilman's; Physician Desk Reference 63rd Edition, 2009; FDA Approved Drug Labels; peer-reviewed literature)

Each drug is represented in neutral species (whenever possible).

Physico-chemical properties captured from the Hansch, Leo & Hoekman Tables (LogD7.4; LogP) and Avery's (pKa).

Integrated with WOMBAT 2009.1: Target-bioactivity data from WOMBAT are included as searchable fields in this database.

Over 100 drugs to be added in 2010.

Additional information about WOMBAT-PK is available [1-2].

WOMBAT-PK Searcheable Categories

Property	Nr. of Drugs
%Oral Bioavailability	818
%Urinary excretion	811
%Plasma Protein Binding	1006
Systemic Clearance, Cl (mL/min*kg)	883
Nonrenal clearance (fractional)	679
Volume of distribution, VDss (L/kg)	908
Half-life, T1/2 (hrs)	1134
Biopharm. Drug Disp. Classif. System (LZB)	830
MRTD, maximum recommended therapeutic dose (mM/kg-bw/day)	805
LogD7.4 (measured)	559
LogPoct (measured)	532
pKa (measured)	502
Water Solubility, measured	618
Blood Brain Barrier permeability (qualitative)	519
Cardiac Toxicity (Torsades des Pointes)	312
LD50 (mammal data)	434
Phospholipidosis (qualitative)	133
Phase 1 Metabolizing Enzymes	511
Drug-Target Annotation	1111
Drugs annotated with Anti-Targets	178
Drugs annotated with Year first launched	904
In Vitro Binding Data ( from Wombat)	622

Data curated with assistance from Prof. Les Benet, UCSF

References:

[1] T.I. Oprea, P. Benedetti, G. Berellini, M. Olah, K. Fejgin, S. Boyer. Rapid ADME Filters for Lead Discovery, in Molecular Interaction Fields. G. Cruciani (Ed.), Wiley-VCH, New York, 2006, pp. 249-272.

[2] M. Olah, R. Rad, L. Ostopovici, A. Bora, N. Hadaruga, D. Hadaruga, R. Moldovan, A. Fulias, M. Mracec, T.I. Oprea. WOMBAT and WOMBAT-PK: Bioactivity Databases for Lead and Drug Discovery. In Chemical Biology: From Small Molecules to Systems Biology and Drug Design, SL Schreiber, TM Kapoor, G. Wess (Eds.), Wiley-VCH, New York, 2007, pp. 760-786.