Details of the Drug

General Information of Drug (ID: DMCF8RQ)

Drug Name

NE-1530

Synonyms

SLNnT; LS tetrasaccharide d; 3'-Sialyllacto-N-neotetraose; Neu5Acalpha3Galbeta4GlcNAcbeta3Galbeta4Glc; O-(N-acetyl-alpha-neuraminosyl)-(2->3)-O-beta-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)- D-Glucose

Indication

Disease Entry	ICD 11	Status	REF
Bronchitis	CA20	Discontinued in Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C37H62N2O29
Canonical SMILES: CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC2C(C(OC(C2O)OC3C(OC(C(C3O)NC(=O)C)OC4C(C(OC(C4O)OC(C(CO)O)C(C(C=O)O)O)CO)O)CO)CO)O)O
InChI: 1S/C37H62N2O29/c1-10(46)38-19-12(48)3-37(36(59)60,67-30(19)22(53)14(50)5-41)68-32-24(55)17(8-44)62-35(27(32)58)65-29-18(9-45)63-33(20(25(29)56)39-11(2)47)66-31-23(54)16(7-43)61-34(26(31)57)64-28(15(51)6-42)21(52)13(49)4-40/h4,12-35,41-45,48-58H,3,5-9H2,1-2H3,(H,38,46)(H,39,47)(H,59,60)/t12-,13-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25+,26+,27+,28+,29+,30+,31-,32?,33-,34-,35-,37-/m0/s1
InChIKey: ILRKELAUAFUGGJ-XLXDPAEISA-N

Cross-matching ID

PubChem CID: 53477871
CAS Number: 100789-83-1
TTD ID: D0G6RU

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002903)