Details of the Drug

General Information of Drug (ID: DM5CO0V)

Drug Name

OXECLOSPORIN

Synonyms

Lic amide; IMM-125; Oxeclosporin; SDZ-IMM-125; Yl-(N-methyl)valine cyclic lactam; [3-O-(2-Hydroxyethyl)-D-seryl]8-cyclosporin; 3(R)-Hydroxy-4(R)-methyl-2(S)-(methylamino)-6(E)-octenoyl-2(S)-aminobutyryl-(N-methyl)glycyl-(N-methyl)leucyl-valyl-(N-methyl)leucyl-alanyl-[O-(2-hydroxyethyl)]-D-seryl-(N-methyl)leucyl-(N-methyl)leuc; 4(R)-[2(E)-Butenyl]-N,4-dimethyl-threonyl-(2-aminobutyryl)-sarcosyl-N-methyl-leucyl-valyl-N-methyl-leucyl-alanyl-[3-O-(2-hydroxyethyl)]-D-seryl-N-methyl-leucyl-N-methyl-leucyl-N-methyl-valine 1,11-cyc

Indication

Disease Entry	ICD 11	Status	REF
Immune System disease	4A01-4B41	Discontinued in Phase 1	[1]
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Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C64H115N11O14
Canonical SMILES: CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)COCCO)C)CC(C)C)C)C(C)C)CC(C)C)C)C
InChI: 1S/C64H115N11O14/c1-24-26-27-42(15)54(78)53-58(82)66-44(25-2)59(83)69(17)34-50(77)70(18)46(30-36(3)4)57(81)68-51(40(11)12)63(87)71(19)47(31-37(5)6)56(80)65-43(16)55(79)67-45(35-89-29-28-76)60(84)72(20)48(32-38(7)8)61(85)73(21)49(33-39(9)10)62(86)74(22)52(41(13)14)64(88)75(53)23/h24,26,36-49,51-54,76,78H,25,27-35H2,1-23H3,(H,65,80)(H,66,82)(H,67,79)(H,68,81)/b26-24+/t42-,43+,44+,45-,46+,47+,48+,49+,51+,52+,53+,54-/m1/s1
InChIKey: XZDDMPMZGYEESG-VNHFGJPGSA-N

Cross-matching ID

PubChem CID: 6436153
CAS Number: 135548-15-1
TTD ID: D0B1PC

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 800002453)