Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D03SRY
|
|||
| Former ID |
DAP001307
|
|||
| Drug Name |
Estramustine
|
|||
| Synonyms |
Estramustina; Estramustinum; Emcyt (TN); Estramustine (USAN/INN); Estradiol 3-[bis(2-chloroethyl)carbamate]; Ro-22-2296/000; Estra-1,3,5(10)-triene-3,17-diol (17.beta.)-, 3-[bis(2-chloroethyl)carbamate]; [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] N,N-bis(2-chloroethyl)carbamate; (17beta)-17-hydroxyestra-1(10),2,4-trien-3-yl bis(2-chloroethyl)carbamate; 17.beta.-Estradiol 3-[bis(2-chloroethyl)carbamate]
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Prostate cancer [ICD-11: 2C82.0; ICD-10: C61; ICD-9: 185] | Approved | [1] | |
| Therapeutic Class |
Anticancer Agents
|
|||
| Company |
Pfizer Pharmaceuticals
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C23H31Cl2NO3
|
|||
| Canonical SMILES |
CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl
|
|||
| InChI |
1S/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3/t18-,19-,20+,21+,23+/m1/s1
|
|||
| InChIKey |
FRPJXPJMRWBBIH-RBRWEJTLSA-N
|
|||
| CAS Number |
CAS 2998-57-4
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID |
13407, 396503, 7978494, 9402932, 11446334, 16850624, 24702260, 26758003, 41280965, 46508765, 47206023, 56352913, 57400709, 76429291, 93166640, 103589705, 104467345, 119525106, 125083748, 126616924, 127301152, 127301153, 127301154, 127301155, 127301156, 127301157, 127301158, 127301159, 127301160, 127301161, 127301162, 127301163, 127301164, 127301165, 127889566, 134983568, 136342495, 137129046, 140230311, 144205760, 162174802, 162221629, 163134406, 163883659, 164788803, 170466403, 175266702, 175612197, 179150282, 184545983
|
|||
| ChEBI ID |
CHEBI:4868
|
|||
| ADReCS Drug ID | BADD_D00826 ; BADD_D00827 ; BADD_D00828 | |||
| SuperDrug ATC ID |
L01XX11
|
|||
| SuperDrug CAS ID |
cas=002998574
|
|||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Estramustine binding protein (EMBP) | Target Info | Binder | [2] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77. | |||
| REF 2 | Estramustine binding protein in primary tumours and metastases of malignant melanoma. Melanoma Res. 1994 Dec;4(6):401-5. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.