BT-11   Click here for help

GtoPdb Ligand ID: 10363

Synonyms: analogue 7 [PMID: 27933891] | BT11 | Example 1 [US9556146B2]
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: BT-11 is an orally active anti-inflammatory agent that operates as a LANCL2 pathway activator [3]. It is being developed by Landos Biopharma, and is Example 1 as claimed in patent US9556146B2 [1]. The physicochemical properties of BT-11 suggest that it may offer a drug with minimal systemic distribution, and be more suited to local action in the acidic environment of the gut.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 123.76
Molecular weight 528.2
XLogP 3.07
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES O=C(c1cccc(n1)c1nc2c([nH]1)cccc2)N1CCN(CC1)C(=O)c1cccc(n1)c1nc2c([nH]1)cccc2
Isomeric SMILES O=C(c1cccc(n1)c1nc2c([nH]1)cccc2)N1CCN(CC1)C(=O)c1cccc(n1)c1nc2c([nH]1)cccc2
InChI InChI=1S/C30H24N8O2/c39-29(25-13-5-11-23(31-25)27-33-19-7-1-2-8-20(19)34-27)37-15-17-38(18-16-37)30(40)26-14-6-12-24(32-26)28-35-21-9-3-4-10-22(21)36-28/h1-14H,15-18H2,(H,33,34)(H,35,36)
Bioactivity Comments
BT-11 has demonstrated therapeutic efficacy in 3 validated mouse models of colitis [2].
Selectivity at other protein targets
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
LanC like 2 Hs None Binding 5.1 pKd - 3
pKd 5.1 (Kd 7.7x10-6 M) [3]
Description: Direct binding to LANCL2 by SPR.