Omilancor
[4-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]methanone
Molecular Identity
Omilancor
[4-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]methanone
PubChem CID: 121299620
Omilancor (BT-11) is an orally active lanthionine synthetase C-like 2 (LANCL2) binding compound for treating inflammatory bowel disease (IBD) (Kd value of 7.7 uM).
2D Structure
Properties
C30H24N8O2
Molecular Formula
528.60
Molecular Weight
g/mol
528.2022
Exact Mass
Da
3.4
XLogP
Drug-like (Lipinski: < 5)
124
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
840
Complexity
SMILES
Canonical SMILES
SMILES: C1CN(CCN1C(=O)C2=CC=CC(=N2)C3=NC4=CC=CC=C4N3)C(=O)C5=CC=CC(=N5)C6=NC7=CC=CC=C7N6Isomeric SMILES
SMILES: C1CN(CCN1C(=O)C2=CC=CC(=N2)C3=NC4=CC=CC=C4N3)C(=O)C5=CC=CC(=N5)C6=NC7=CC=CC=C7N6Synonyms(20)
BT-11OMILANCORA4Y49H6YY8[4-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]-[6-(1H-benzimidazol-2-yl)pyridin-2-yl]methanoneOMILANCOR [INN]Example 1 [US9556146B2]UNII-A4Y49H6YY8Example 1 (US9556146B2)(4-(6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl)piperazin-1-yl)-(6-(1H-benzimidazol-2-yl)pyridin-2-yl)methanoneRefChem:1682241912399-75-7Piperazine-1,4-diylbis((6-(1H-benzo[d]imidazol-2-yl)pyridin-2-yl)methanone)Methanone, 1,1'-(1,4-piperazinediyl)bis(1-(6-(1H-benzimidazol-2-yl)-2-pyridinyl)-BT11CHEMBL4788758
Data from PubChem (NCBI)
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