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| 1 | INN | Class | Route (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 complex | Targets from DrugCentral | Links | |||
| CAFFEINE
| CAFFEINE | NATURAL MOLECULE (link)
NERVOUS SYSTEM | ORAL RECTAL INTRAVENOUS | Cmax 41.2 MICROMOLAR Tmax 1.25 HOUR VD 39 LITER (65 KILOGRAM) PPB 36 PERCENT Cl 5.4 LITER / HOUR (65 KILOGRAM) HT 5 HOUR SOLUBILITY SPARINGLY SOLUBLE IN WATER | ADENOSINE RECEPTOR PDB 5TAU (STRUCTURE OF RABBIT RYR1 (CAFFEINE, ATP, EGTA DATASET, CLASS 3)) LIGAND CODE = CFF (link to the list of PDB complexes) Download experimental 3D coordinates of CFF with added hydrogens | Adenosine receptor A2a UNIPROT P29274 ADORA2A -- Adenosine receptor A1 UNIPROT P30542 ADORA1 more at DrugCentral | EMA | |||
