Gsk-1795091
(2S)-2-[[(3R)-3-decoxytetradecanoyl]amino]-3-[(2R,3R,4R,5S,6R)-3-[[(3R)-3-decoxytetradecanoyl]amino]-4-[(3R)-3-decoxytetradecanoyl]oxy-6-(hydroxymethyl)-5-phosphonooxyoxan-2-yl]oxypropanoic acid
Molecular Identity
Gsk-1795091
(2S)-2-[[(3R)-3-decoxytetradecanoyl]amino]-3-[(2R,3R,4R,5S,6R)-3-[[(3R)-3-decoxytetradecanoyl]amino]-4-[(3R)-3-decoxytetradecanoyl]oxy-6-(hydroxymethyl)-5-phosphonooxyoxan-2-yl]oxypropanoic acid
PubChem CID: 25127152
2D Structure
Properties
C81H157N2O16P
Molecular Formula
1446.10
Molecular Weight
g/mol
1445.1271
Exact Mass
Da
25.6
XLogP
Above Lipinski threshold
255
TPSA
May have limited oral absorption
6
H-Bond Donors
16
H-Bond Acceptors
1920
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCCCCCCC(CC(=O)NC1C(C(C(OC1OCC(C(=O)O)NC(=O)CC(CCCCCCCCCCC)OCCCCCCCCCC)CO)OP(=O)(O)O)OC(=O)CC(CCCCCCCCCCC)OCCCCCCCCCC)OCCCCCCCCCCIsomeric SMILES
SMILES: CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H](C(=O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCC)CO)OP(=O)(O)O)OC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCC)OCCCCCCCCCCSynonyms(20)
GSK17950911233589-81-5CRX-601GSK-17950915D8VHL5WH5CRX601RefChem:144505TLR4 Agonist GSK1795091Gsk 1795091TLR 4 Agonist GSK1795091Toll-like Receptor 4 Agonist GSK1795091UNII-5D8VHL5WH5CHEMBL507938(2S)-2-[[(3R)-3-decoxytetradecanoyl]amino]-3-[(2R,3R,4R,5S,6R)-3-[[(3R)-3-decoxytetradecanoyl]amino]-4-[(3R)-3-decoxytetradecanoyl]oxy-6-(hydroxymethyl)-5-phosphonooxyoxan-2-yl]oxypropanoic acidO-((2R,3R,4R,5S,6R)-3-((R)-3-(decyloxy)tetradecanamido)-4-(((R)-3-(decyloxy)tetradecanoyl)oxy)-6-(hydroxymethyl)-5-(phosphonooxy)tetrahydro-2H-pyran-2-yl)-N-((R)-3-(decyloxy)tetradecanoyl)-L-serine
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Gsk-1795091
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