carotegrast methyl   Click here for help

GtoPdb Ligand ID: 10510

Synonyms: AJM-300 | AJM300 | Carogra®
Approved drug Immunopharmacology Ligand
carotegrast methyl is an approved drug
Compound class: Synthetic organic
Comment: Carotegrast methyl (AJM300) is an orally administered esterified prodrug α4 integrin inhibitor/antagonist that was developed by EA Pharma for anti-inflammatory potential [1].
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 102.12
Molecular weight 568.13
XLogP 6.44
No. Lipinski's rules broken 1
Click here for help
Canonical SMILES COC(=O)C(NC(=O)c1c(Cl)cccc1Cl)Cc1ccc(cc1)n1c(=O)c2cc(ccc2n(c1=O)C)N(C)C
Isomeric SMILES COC(=O)[C@@H](NC(=O)c1c(Cl)cccc1Cl)Cc1ccc(cc1)n1c(=O)c2cc(ccc2n(c1=O)C)N(C)C
InChI InChI=1S/C28H26Cl2N4O5/c1-32(2)18-12-13-23-19(15-18)26(36)34(28(38)33(23)3)17-10-8-16(9-11-17)14-22(27(37)39-4)31-25(35)24-20(29)6-5-7-21(24)30/h5-13,15,22H,14H2,1-4H3,(H,31,35)/t22-/m0/s1
No information available.
Summary of Clinical Use Click here for help
AJM300 was advanced to Phase 3 clinical evaluation in patients with active ulcerative colitis (see NCT03531892). The safety and efficacy of AJM300 was first reported in 2015, with results from a Phase 2a study in Japan [5]. First approval was granted in Japan (March 2022) for the treatment of mesalazine-insensitive moderate ulcerative colitis.
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT03531892 A Study to Evaluate the Safety and Efficacy of AJM300 in Participants With Active Ulcerative Colitis Phase 3 Interventional Eisai Inc.