TD-1211
3-[(1R,5S)-8-[2-[cyclohexylmethyl-[(2S)-2,3-dihydroxypropanoyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
Molecular Identity
TD-1211
3-[(1R,5S)-8-[2-[cyclohexylmethyl-[(2S)-2,3-dihydroxypropanoyl]amino]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
PubChem CID: 67156338
2D Structure
Properties
C26H39N3O4
Molecular Formula
457.60
Molecular Weight
g/mol
457.2941
Exact Mass
Da
2.6
XLogP
Drug-like (Lipinski: < 5)
107
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
654
Complexity
SMILES
Canonical SMILES
SMILES: C1CCC(CC1)CN(CCN2C3CCC2CC(C3)C4=CC(=CC=C4)C(=O)N)C(=O)C(CO)OIsomeric SMILES
SMILES: C1CCC(CC1)CN(CCN2[C@@H]3CC[C@H]2CC(C3)C4=CC(=CC=C4)C(=O)N)C(=O)[C@H](CO)OSynonyms(20)
TD-1211RefChem:203201Axelopran949904-48-785U7ROB1493-((1R,3R,5S)-8-(2-(Cyclohexylmethyl((2S)-2,3-dihydroxypropanoyl)amino(ethyl)-8-azabicyclo(3.2.1)octan-3-yl(benzamideBenzamide, 3-((3-endo)-8-(2-((cyclohexylmethyl)((2S)-2,3-dihydroxy-1-oxopropyl)amino)ethyl)-8-azabicyclo(3.2.1)oct-3-yl)-3-((1R,3R,5S)-8-(2-((S)-N-(Cyclohexylmethyl)-2,3-dihydroxypropanamido)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)benzamideAxelopran [USAN:INN]UNII-85U7ROB149Axelopran [INN]TD 1211AXELOPRAN [USAN]AXELOPRAN [WHO-DD]orb1698254
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to TD-1211
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