Molecule Details
InChIKeyYGIDGBAHDZEYMT-MQFIMZJJSA-N
Compound NameOlitigaltin
Canonical SMILESOC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cccc(F)c4)nn3)[C@H]2O)[C@H](O)[C@@H](n2cc(-c3cccc(F)c3)nn2)[C@H]1O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL7.92
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB12895
Drug NameOlitigaltin
CAS Number1450824-22-2
Groups investigational
ATC Codes nan
DescriptionOlitigaltin has been investigated for the treatment of Idiopathic Pulmonary Fibrosis.
Categories: Carbohydrates Galactosides Glycosides Sulfur Compounds Thioglycosides
Cross-references: CHEMBL4297442 ChemSpider: 52083921 PDB: TD2 PubChem:73774610 PubChem:347829048 ZINC: ZINC000208938373
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P09382 LGALS1 Homo sapiens Human PF00337 7.9 Kd ChEMBL
P17931 LGALS3 Homo sapiens Human PF00337 7.9 IC50 ChEMBL;BindingDB
DrugBank Target Actions (1)
Target Gene Target Name Action Type
P17931 LGALS3 Galectin-3 inhibitor targets