Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00091
|
|||||
| Drug Name |
Dimesna
|
|||||
| Synonyms |
Tavocept (TN)
|
|||||
| Drug Type |
Small molecular drug
|
|||||
| Indication | Diabetic nephropathy [ICD11:GB61] | Phase 3 | [1] | |||
| Structure |
|
 |
||||
| 3D MOL | 2D MOL | |||||
| Formula |
C4H8Na2O6S4
|
|||||
| Canonical SMILES |
C(CS(=O)(=O)[O-])SSCCS(=O)(=O)[O-].[Na+].[Na+]
|
|||||
| InChI |
InChI=1S/C4H10O6S4.2Na/c5-13(6,7)3-1-11-12-2-4-14(8,9)10;;/h1-4H2,(H,5,6,7)(H,8,9,10);;/q;2*+1/p-2
|
|||||
| InChIKey |
KQYGMURBTJPBPQ-UHFFFAOYSA-L
|
|||||
| CAS Number |
CAS 16208-51-8
|
|||||
| Pharmaceutical Properties | Molecular Weight | 326.4 | Topological Polar Surface Area | 182 | ||
| Heavy Atom Count | 16 | Rotatable Bond Count | 5 | |||
| Hydrogen Bond Donor Count | 0 | Hydrogen Bond Acceptor Count | 8 | |||
| PubChem CID | ||||||
| PubChem SID |
104334235
,120933845
,121362217
,125822884
,126621119
,126651868
,126670297
,135021492
,137267146
,14875006
,151972885
,160703331
,163414196
,164786731
,172913485
,175611347
,176271074
,184546110
,184812797
,187071883
,196110085
,198953650
,223660855
,225109334
,226408768
,249868252
,250215995
,252070734
,252213075
,252219973
,252390158
,252416150
,43122396
,50069632
,50887054
,57315621
,8189811
,92719058
,93309578
|
|||||
| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | OAT1 | Transporter Info | Organic anion transporter 1 | Substrate | [2] | |
| OAT3 | Transporter Info | Organic anion transporter 3 | Substrate | [2] | ||
| Drug-Transporter Activity Data | ||||||
| Drug-Transporter Activity Data | OAT1 | Transporter Info | Km =636 microM | Human cervical cancer cell line (Hela)-OAT1 | [2] | |
| OAT3 | Transporter Info | Km =390 microM | Human cervical cancer cell line (Hela)-OAT3 | [2] | ||
| References | ||||||
| 1 | BNP7787, a novel protector against platinum-related toxicities, does not affect the efficacy of cisplatin or carboplatin in human tumour xenografts. Eur J Cancer. 2002 May;38(8):1148-56. | |||||
| 2 | In vitro and in vivo assessment of renal drug transporters in the disposition of mesna and dimesna. J Clin Pharmacol. 2012 Apr;52(4):530-42. | |||||
If you find any error in data or bug in web service, please kindly report it to Dr. Li and Dr. Fu.