Details of the Drug

General Information of Drug (ID: DMQSH9J)

Drug Name

CEND-1

Synonyms

iRGD; UNII-Z8MXU5GH4Q; Z8MXU5GH4Q; iRGD-peptide; 1392278-76-0; Internalized-arginylglycylaspartic acid cyclic peptide; Q48988348; L-Cysteine, L-cysteinyl-L-arginylglycyl-L-alpha-aspartyl-L-lysylglycyl-L-prolyl-L-alpha-aspartyl-, cyclic (1->9)-disulfide

Indication

Disease Entry	ICD 11	Status	REF
Pancreatic cancer	2C10	Phase 1	[1]
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Drug Type

Peptide

Structure

3D MOL is unavailable

2D MOL

Chemical Identifiers

Formula: C35H57N13O14S2
Canonical SMILES: C1CC2C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)N2C1)CCCCN)CC(=O)O)CCCN=C(N)N)N)C(=O)O)CC(=O)O
InChI: 1S/C35H57N13O14S2/c36-8-2-1-5-18-30(57)42-14-25(50)48-10-4-7-23(48)33(60)46-21(12-27(53)54)32(59)47-22(34(61)62)16-64-63-15-17(37)28(55)44-19(6-3-9-40-35(38)39)29(56)41-13-24(49)43-20(11-26(51)52)31(58)45-18/h17-23H,1-16,36-37H2,(H,41,56)(H,42,57)(H,43,49)(H,44,55)(H,45,58)(H,46,60)(H,47,59)(H,51,52)(H,53,54)(H,61,62)(H4,38,39,40)/t17-,18-,19-,20-,21-,22-,23-/m0/s1
InChIKey: YHTTWXCDIRTOQX-FQJIPJFPSA-N

Cross-matching ID

PubChem CID: 134611625
CAS Number: 1392278-76-0
UNII: Z8MXU5GH4Q
DrugBank ID: DB17346
TTD ID: D5WU7B

References

1	ClinicalTrials.gov (NCT03517176) CEND-1 in Combination With Nabpaclitaxel and Gemcitabine in Metastatic Pancreatic Cancer. U.S. National Institutes of Health.