ARI-3099

Ligand id: 8563

Name: ARI-3099

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 102.76
Molecular weight 291.14
XLogP -0.23
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Synonyms
compound 226 [PMID: 24997602] | compound 6 [PMID: 23594271] | Py(D)AlaboroPro
Database Links
ChEMBL Ligand CHEMBL2333026
PubChem CID 71655266
Search Google for chemical match using the InChIKey DRBWRJPFNOBNIO-KOLCDFICSA-N
Search Google for chemicals with the same backbone DRBWRJPFNOBNIO
Search UniChem for chemical match using the InChIKey DRBWRJPFNOBNIO-KOLCDFICSA-N
Search UniChem for chemicals with the same backbone DRBWRJPFNOBNIO
Comments
ARI-3099 is reported as an inhibitor of fibroblast activation protein, alpha (FAP) [2]. FAP is being investigated as a novel anti-cancer drug target, given the role of the enzyme in tumour invasion and metastasis. Bachovchin et al. (2014) report inhibition of acylaminoacyl-peptide hydrolase (APEH) by this compound [1].