Details of the Drug

General Information of Drug (ID: DMLZJSJ)

Drug Name

Maraciclatide

Indication

Disease Entry	ICD 11	Status	REF
Breast cancer	2C60-2C65	Phase 2	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

Chemical Identifiers

Formula: C72H120N20O21S3
Canonical SMILES: CC(=NO)C(C)(C)NCCC(CCNC(=O)CCCC(=O)NCCCCC1C(=O)NC2CSSCC(C(=O)NC(C(=O)NC(CSCC(=O)N1)C(=O)NCCOCCOCCOCCNC(=O)COCC(=O)N)CC3=CC=CC=C3)NC(=O)C(NC(=O)CNC(=O)C(NC2=O)CCCN=C(N)N)CC(=O)O)CCNC(C)(C)C(=NO)C
InChI: 1S/C72H120N20O21S3/c1-45(91-108)71(3,4)82-26-21-47(22-27-83-72(5,6)46(2)92-109)20-25-77-58(95)19-12-18-57(94)76-23-11-10-16-50-65(103)89-54-42-115-116-43-55(90-67(105)52(37-62(99)100)85-59(96)38-81-63(101)49(86-68(54)106)17-13-24-80-70(74)75)69(107)87-51(36-48-14-8-7-9-15-48)66(104)88-53(41-114-44-61(98)84-50)64(102)79-29-31-111-33-35-112-34-32-110-30-28-78-60(97)40-113-39-56(73)93/h7-9,14-15,47,49-55,82-83,108-109H,10-13,16-44H2,1-6H3,(H2,73,93)(H,76,94)(H,77,95)(H,78,97)(H,79,102)(H,81,101)(H,84,98)(H,85,96)(H,86,106)(H,87,107)(H,88,104)(H,89,103)(H,90,105)(H,99,100)(H4,74,75,80)/t47?,49-,50-,51-,52-,53-,54-,55-/m0/s1
InChIKey: OTOMOKKNHNZSBB-CQSZQERZSA-N

Cross-matching ID

References

1	ClinicalTrials.gov (NCT01440517) Results of Tc99m-Maraciclatide Scintigraphy in Subjects With Diabetes Mellitus and Heart Failure With Preserved Left Ventricular Ejection Fraction. U.S. National Institutes of Health.