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CHEBI:758602 - biib-091

Default Structure
ChEBI IDCHEBI:758602
ChEBI Namebiib-091
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC28H34N10O2
Net Charge0
Average Mass542.648
Monoisotopic Mass542.28662
SMILESCn1cc(Nc2nccc(-c3ccc4c(c3)CN(C3COC3)CC[C@H]4NC(=O)c3cn(C(C)(C)C)nn3)n2)cn1
InChIInChI=1S/C28H34N10O2/c1-28(2,3)38-15-25(34-35-38)26(39)32-24-8-10-37(21-16-40-17-21)13-19-11-18(5-6-22(19)24)23-7-9-29-27(33-23)31-20-12-30-36(4)14-20/h5-7,9,11-12,14-15,21,24H,8,10,13,16-17H2,1-4H3,(H,32,39)(H,29,31,33)/t24-/m1/s1
InChIKeyJSAQBOQCZJHWMA-XMMPIXPASA-N
Roles Classification
Biological Role:
immunosuppressive agent  An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
Application:
immunosuppressive agent  An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
ChEBI Ontology
Outgoing Relation(s)
biib-091 (CHEBI:758602) has role immunosuppressive agent (CHEBI:35705)
biib-091 (CHEBI:758602) is a benzazepine (CHEBI:35676)
Synonyms  Source
Biib-091ChEMBL
Biib091ChEMBL
Citations