Otx-008
N-[2-(dimethylamino)ethyl]-2-[[26,27,28-tris[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetamide
Molecular Identity
Otx-008
N-[2-(dimethylamino)ethyl]-2-[[26,27,28-tris[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetamide
PubChem CID: 11953346
2D Structure
Properties
C52H72N8O8
Molecular Formula
937.20
Molecular Weight
g/mol
936.5473
Exact Mass
Da
5.1
XLogP
Above Lipinski threshold
166
TPSA
May have limited oral absorption
4
H-Bond Donors
12
H-Bond Acceptors
1250
Complexity
SMILES
Canonical SMILES
SMILES: CN(C)CCNC(=O)COC1=C2CC3=C(C(=CC=C3)CC4=C(C(=CC=C4)CC5=CC=CC(=C5OCC(=O)NCCN(C)C)CC1=CC=C2)OCC(=O)NCCN(C)C)OCC(=O)NCCN(C)CIsomeric SMILES
SMILES: CN(C)CCNC(=O)COC1=C2CC3=C(C(=CC=C3)CC4=C(C(=CC=C4)CC5=CC=CC(=C5OCC(=O)NCCN(C)C)CC1=CC=C2)OCC(=O)NCCN(C)C)OCC(=O)NCCN(C)CSynonyms(20)
OTX008286936-40-1OTX-008Calixarene 0118PTX-0088JI63CFH5VKM-0118Acetamide, 2,2',2'',2'''-(pentacyclo(19.3.1.13,7.19,13.115,19)octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetrayltetrakis(oxy))tetrakis(N-(2-(dimethylamino)ethyl)-N-[2-(dimethylamino)ethyl]-2-[[26,27,28-tris[2-[2-(dimethylamino)ethylamino]-2-oxoethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]acetamideN-(2-(dimethylamino)ethyl)-2-((26,27,28-tris(2-(2-(dimethylamino)ethylamino)-2-oxoethoxy)-25-pentacyclo(19.3.1.13,7.19,13.115,19)octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl)oxy)acetamideRefChem:168717Gal-1 Inhibitor OTX008Galectin-1 Inhibitor OTX008OTX 008CHEMBL221186
Data from PubChem (NCBI)
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Drug Network
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