CHEBI:38912 - Ro 31-8220

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ChEBI Name Ro 31-8220
ChEBI ID CHEBI:38912
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H23N5O2S
Net Charge 0
Average Mass 457.54862
Monoisotopic Mass 457.157
InChI InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32)
InChIKey DSXXEELGXBCYNQ-UHFFFAOYSA-N
SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12
Roles Classification
Biological Role(s): EC 2.7.11.13 (protein kinase C) inhibitor
An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of protein kinase C (EC 2.7.11.13).
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ChEBI Ontology
Outgoing Ro 31-8220 (CHEBI:38912) has functional parent maleimide (CHEBI:16072)
Ro 31-8220 (CHEBI:38912) has role EC 2.7.11.13 (protein kinase C) inhibitor (CHEBI:37700)
Ro 31-8220 (CHEBI:38912) is a imidothiocarbamic ester (CHEBI:38914)
Ro 31-8220 (CHEBI:38912) is a indoles (CHEBI:24828)
Ro 31-8220 (CHEBI:38912) is a maleimides (CHEBI:55417)
IUPAC Name
3-{3-[4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-indol-1-yl}propyl carbamimidothioate
Synonyms Sources
3-{3-[4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-indol-1-yl}propyl imidothiocarbamate IUPAC
Ro 31 8220 ChemIDplus
Manual Xref Database
LSM-2125 LINCS
View more database links
Registry Numbers Types Sources
125314-64-9 CAS Registry Number ChemIDplus
5366323 Beilstein Registry Number Beilstein
Last Modified
24 February 2016