General Information of Drug (ID: DMQ6JOU)

Drug Name
HLA-B7.75-84
Synonyms Allotrap-07; Arginyl-glutamyl-seryl-leucyl-arginyl-asparaginyl-leucyl-arginyl-glycyl-tyrosine
Indication
Disease Entry ICD 11 Status REF
Immune System disease 4A01-4B41 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Chemical Identifiers
Formula
C53H90N20O16
Canonical SMILES
CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C(CCCN=C(N)N)N
InChI
1S/C53H90N20O16/c1-26(2)20-34(46(84)68-31(9-6-18-63-52(58)59)43(81)65-24-40(77)66-37(50(88)89)22-28-11-13-29(75)14-12-28)70-48(86)36(23-39(55)76)72-44(82)32(10-7-19-64-53(60)61)69-47(85)35(21-27(3)4)71-49(87)38(25-74)73-45(83)33(15-16-41(78)79)67-42(80)30(54)8-5-17-62-51(56)57/h11-14,26-27,30-38,74-75H,5-10,15-25,54H2,1-4H3,(H2,55,76)(H,65,81)(H,66,77)(H,67,80)(H,68,84)(H,69,85)(H,70,86)(H,71,87)(H,72,82)(H,73,83)(H,78,79)(H,88,89)(H4,56,57,62)(H4,58,59,63)(H4,60,61,64)/t30-,31-,32-,33-,34-,35-,36-,37-,38-/m0/s1
InChIKey
KXASYRUYKYOKGG-IWLMWFOOSA-N
Cross-matching ID
PubChem CID
132929
CAS Number
151232-75-6
TTD ID
D0Y2IP

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 800004203)