Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00233
|
|||||
| Drug Name |
Romidepsin
|
|||||
| Synonyms |
(1S,4S,7Z,10S,16E,21R)-7-Ethylidene-4,21-bis(1-methylethyl)-2-oxa-12,13-dithia-5,8,20,23-tetraazabicyclo(8.7.6)tricos-16-ene-3,6,9,19,22-pentone; (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetraazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone; (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone; Antibiotic FR 901228; Chromadax; Chromadax (TN); Cyclo((2Z)-2-amino-2-butenoyl-L-valyl-(3S,4E)-3-hydroxy-7-mercapto-4-heptenoyl-D-valyl-D-cysteinyl), cyclic (35)-disulfide; FK 228; FK-228; FK-901228; FK228; FR 901228; FR-901228; FR901228; HDInhib_000006; Istodax; Istodax (TN); L-Valine, N-((3S,4E)-3-hydroxy-7-mercapto-1-oxo-4-heptenyl)-D-valyl-D-cysteinyl-(2Z)-2-amino-2-butenoxyl-, (4-1)-lactone, cyclic (1-2)-disulfide; Romidepsin (USAN)
|
|||||
| Drug Type |
Small molecular drug
|
|||||
| Indication | Cutaneous T-cell lymphoma [ICD11:2B0Z] | Approved | [1] | |||
| Peripheral T-cell lymphoma [ICD11:2A90.C] | Approved | [1] | ||||
| Structure |
|
 |
||||
| 3D MOL | 2D MOL | |||||
| Formula |
C24H36N4O6S2
|
|||||
| Canonical SMILES |
CC=C1C(=O)NC(C(=O)OC2CC(=O)NC(C(=O)NC(CSSCCC=C2)C(=O)N1)C(C)C)C(C)C
|
|||||
| InChI |
InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17-,19-,20+/m1/s1
|
|||||
| InChIKey |
OHRURASPPZQGQM-GCCNXGTGSA-N
|
|||||
| CAS Number |
CAS 128517-07-7
|
|||||
| Pharmaceutical Properties | Molecular Weight | 540.7 | Topological Polar Surface Area | 193 | ||
| Heavy Atom Count | 36 | Rotatable Bond Count | 2 | |||
| Hydrogen Bond Donor Count | 4 | Hydrogen Bond Acceptor Count | 8 | |||
| XLogP |
2.2
|
|||||
| PubChem CID | ||||||
| PubChem SID |
103393180
,104222481
,113905898
,11650994
,12014448
,127325932
,127325933
,131408687
,134338801
,134338973
,134340279
,137156420
,139110210
,14763476
,14763478
,152159610
,163620827
,163686155
,164233439
,175266198
,176484649
,178103585
,184816960
,198992824
,224274473
,226087966
,226972555
,251894761
,252430794
,252450287
,252473284
,35018633
,46519185
,47208288
,47721651
,47944836
,48394948
,494874
,50062237
,50260193
,53788098
,57361456
,8139716
,87226502
|
|||||
| ChEBI ID |
CHEBI:61080
|
|||||
| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | OATP1B3 | Transporter Info | Organic anion transporting polypeptide 1B3 | Substrate | [2] | |
| P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | ||
| References | ||||||
| 1 | Romidepsin was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Population pharmacokinetics of romidepsin in patients with cutaneous T-cell lymphoma and relapsed peripheral T-cell lymphoma. Clin Cancer Res. 2009 Feb 15;15(4):1496-503. | |||||
If you find any error in data or bug in web service, please kindly report it to Dr. Li and Dr. Fu.