Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0M5FF
|
|||
| Former ID |
DIB020831
|
|||
| Drug Name |
Ro31-8220
|
|||
| Synonyms |
Bisindolylmaleimide IX; ro 31-8220; bisindolylmaleimide IX; 125314-64-9; Ro 31 8220; Ro 318220; UNII-W9A0B5E78O; Ro-318220; Ro-31-8220; CHEMBL6291; W9A0B5E78O; CHEBI:38912; 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; Ro 31-8220 ; 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; CHEMBL1591531; Carbamimidothioic acid, 3-(3-(2,5-dihydro-4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-1H-pyrrol-3-yl)-1H-indol-1-yl)propyl; Ro 318220; bisindolymaleimide IX; BISINDOLYLMALEIMIDE IX
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C25H23N5O2S
|
|||
| Canonical SMILES |
CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCSC(=N)N
|
|||
| 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
|
|||
| CAS Number |
CAS 125314-64-9
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID |
3724862, 4701140, 8032918, 8153127, 11121714, 11122194, 11362831, 11365393, 11367955, 11370893, 11370894, 11373556, 11376117, 14882364, 26676021, 26737964, 26753184, 26753185, 29224152, 47364993, 47364994, 47810561, 48184804, 50070466, 50071107, 50105668, 53787626, 53788673, 78924110, 85787768, 92310065, 99300977, 103128275, 103163876, 104308229, 117623367, 124658732, 124891580, 125333717, 127782425, 134344210, 135061068, 135649365, 139404169, 162223577, 162383545, 162782646, 163349758, 178101943, 179069625
|
|||
| ChEBI ID |
CHEBI:38912
|
|||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5259). | |||
| REF 2 | Specificity and mechanism of action of some commonly used protein kinase inhibitors. Biochem J. 2000 Oct 1;351(Pt 1):95-105. | |||
| REF 3 | Adenosine mimetics as inhibitors of NAD+-dependent histone deacetylases, from kinase to sirtuin inhibition. J Med Chem. 2006 Dec 14;49(25):7307-16. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.