BT-11   

GtoPdb Ligand ID: 10363

Synonyms: analogue 7 [PMID: 27933891] | BT11 | Example 1 [US9556146B2]
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.
2D Structure
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Physico-chemical Properties
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
SMILES / InChI / InChIKey
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)
InChI Key MVHWZNBAQIGPOQ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
[4-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]-[6-(1H-benzimidazol-2-yl)pyridin-2-yl]methanone
Synonyms
analogue 7 [PMID: 27933891] | BT11 | Example 1 [US9556146B2]
Database Links
CAS Registry No. 1912399-75-7 (source: PubChem)
GtoPdb PubChem SID 384403643
PubChem CID 121299620
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