Details of the Drug

General Information of Drug (ID: DMX2UTO)

Drug Name

A-68828

Synonyms

A 68828; L-Cysteinamide, L-arginyl-L-cysteinyl-3-cyclohexyl-L-alanylglycylglycyl-L-arginyl-L-isoleucyl-L-alpha-aspartyl-L-arginyl-L-isoleucyl-L-phenylalanyl-L-arginyl-, cyclic(2-13)-disulfide

Indication

Disease Entry	ICD 11	Status	REF
Kidney disease	GC2Z	Terminated	[1]
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Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C68H116N26O15S2
Canonical SMILES: CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CS)C(=O)NC(=O)C(CS)NC(=O)C(CCCN=C(N)N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)NC(=O)C(C(C)CC)NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C=NC(=O)C(CC2CCCCC2)N
InChI: 1S/C68H116N26O15S2/c1-5-36(3)52(63(108)88-45(30-39-19-11-8-12-20-39)59(104)86-43(23-15-27-81-67(75)76)56(101)91-48(35-111)62(107)94-61(106)47(34-110)90-55(100)40(69)21-13-25-79-65(71)72)93-58(103)44(24-16-28-82-68(77)78)87-60(105)46(31-51(97)98)89-64(109)53(37(4)6-2)92-57(102)42(22-14-26-80-66(73)74)85-50(96)33-83-49(95)32-84-54(99)41(70)29-38-17-9-7-10-18-38/h8,11-12,19-20,32,36-38,40-48,52-53,110-111H,5-7,9-10,13-18,21-31,33-35,69-70H2,1-4H3,(H,83,95)(H,85,96)(H,86,104)(H,87,105)(H,88,108)(H,89,109)(H,90,100)(H,91,101)(H,92,102)(H,93,103)(H,97,98)(H4,71,72,79)(H4,73,74,80)(H4,75,76,81)(H4,77,78,82)(H,94,106,107)/t36-,37-,40-,41-,42-,43-,44-,45-,46-,47-,48-,52-,53-/m0/s1
InChIKey: HCJNLCHEKMAIHX-WXWPIKAFSA-N

Cross-matching ID

PubChem CID: 25079032
CAS Number: 132309-52-5
TTD ID: D02NFA

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 800003432)