In this study, a new composite adsorbent consisting of aluminum-modified activated carbon (abbreviated hereafter AC@Al) was synthesized for the removal of the Ibuprofen compound (IBU), a non-steroidal anti-inflammatory drug (NSAID). Coconut shells were used as a source material for activated carbon, which was then modified with AlCl3 to improve its properties. Adsorbent dosage, pH and initial IBU concentration, as well as contact time and temperature, are some of the factors affecting adsorption that were investigated in this work. Specifically, at pH 2.0 ± 0.1 with the application of 0.5 g/L of AC@Al in 100 mg/L of IBU, more than 90% was removed, reaching 100% with the addition of 1.0 g/L of the adsorbent. The IBU kinetic data followed the pseudo-second-order kinetic model. Non-linear Langmuir, Freundlich, Sips and Redlich–Peterson isotherm models were used to interpret the adsorption. According to the correlation coefficient (R2), the Langmuir model was found to best match the experimental data. The maximum adsorption capacity (Qmax) according to the Langmuir model was found to be as high as 2053 mg/g. The positive values of ΔH0 (42.92 kJ/mol) confirmed the endothermic nature of the adsorption. Due to the increasing values of ΔG0 with temperature, the adsorption of IBU onto AC@Al proved to be spontaneous. Also, the adsorbent was regenerated and reused for five cycles. This study shows that AC@Al could be used as a cost-effective adsorbent.