PKKB(PharmacoKinetics Knowledge Base) is the most extensive freely available database for collecting ADME (Absorption, Distribution, Metabolism, and Excretion) and Toxic properties. PKKB integrates high quality data for about 1685 drug and drug-like molecules with available experimental ADMET properties, including partition coefficient (logP), solubility (logS), intestinal absorption, Caco-2 permeability, human bioavailability, plasma protein binding, volume of distribution, distribution of blood, half-time, excretion, urinary excretion, clearance, toxicity, etc. We expect that PKKB can afford reliable data for pharmacokinetic studies and in silico ADMET modeling.

PKKB designed user-friendly interface to search and browse ADMET data in PKKB. Moreover, PKKB affords separated datasets for several ADME properties reported by Prof. Hou’s groups. These datasets have been post-processed and can be used directly by ADME modeling. PKKB will be continuously updated and upgraded as new information becomes available.

Property Measurements
logP (experiment) 1019
Pka 638
Solubility( experiment) 800
Intestinal absorption 679
Absorption (description) 699
Caco-2 64
Human bioavailability 992
Plasma protein binding 1058
Volume of distribution(Vd) 646
Toxicity 873
D-blood 66
Metabolism 1111
Half-time 1116
Urinary excretion 281
Clearance 410
Toxicity 873
LD50(rat) 219
LD50(mouse) 243
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