Prodrug Information
Prodrug General Information | Top | |||||
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Prodrug ID |
DPYS51
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Prodrug Name |
Estramustine phosphate
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Synonyms |
Estracyt; Emcyt (free acid); Leo 299; UNII-MUZ9585Y7B; CHEMBL1756; MUZ9585Y7B; CHEBI:68643; NSC-89199; EINECS 225-512-3; LS 299; NSC 89199; (17beta)-17-(phosphonooxy)estra-1(10),2,4-trien-3-yl bis(2-chloroethyl)carbamate; BRN 1898199; NCGC00184995-01; DSSTox_CID_28593; DSSTox_RID_82864; DSSTox_GSID_48667; SCHEMBL234749; DTXSID7048667; NSC89199; ZINC3938713; Tox21_113033; BDBM50333645; AKOS025401368; AC-1305; DB14674; NCGC00484900-01; CAS-4891-15-0; AB01273936-01; 891E150; Q27137070
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Indication | Prostate cancer [ICD-11: 2C82.0; ICD-9: 185] | Approved | [1] | |||
Activation |
Prodrug |
Parent Drug |
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2D MOL 3D MOL | 2D MOL 3D MOL | |||||
[2] | ||||||
Prodrug Strategy |
Classical prodrug strategy
[Carrier linked prodrug (Mutual prodrug)]
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Improved property |
Increase solubility
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[3] | ||||
Formula |
C23H32Cl2NO6P
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Canonical SMILES |
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OP(=O)(O)O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl
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InChI |
1S/C23H32Cl2NO6P/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30)/t18-,19-,20+,21+,23+/m1/s1
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InChIKey |
ADFOJJHRTBFFOF-RBRWEJTLSA-N
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CAS Number |
CAS 4891-15-0
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PubChem Compound ID | ||||||
ChEBI ID |
CHEBI:68643
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Parent Drug General Information | Top | |||||
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Parent Drug ID |
DD63HW
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Parent Drug Name |
Nitrogen mustard
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Synonyms |
Mechlorethamine; Chlormethine; Nitrogen mustard; Chlorethazine; Mustine; Mustargen; Cloramin; 51-75-2; Mecloretamina; Bis(2-chloroethyl)methylamine; Caryolysine; Embichin; 2-Chloro-N-(2-chloroethyl)-N-methylethanamine; Mechloroethamine; Dichlor amine; Methylbis(2-chloroethyl)amine; 2,2'-Dichloro-N-methyldiethylamine; Nitrogranulogen; Antimit; Methyldi(2-chloroethyl)amine; beta,beta'-Dichlorodiethyl-N-methylamine; N,N-Bis(2-chloroethyl)methylamine; Stickstofflost (ebewe); Mecloretamina [Italian]; N,N-Di(chloroethyl)methylamine; HN-2; N-Methyl-lost [German]; N-Lost; Clormetina [INN-Spanish]; Nitrogen mustard (HN-2); 2,2'-Dichlorodiethyl-methylamine; NSC 762; Chlormethinum [INN-Latin]; N-Methyl-bis-chloraethylamin; N-Methyl-2,2'-dichlorodiethylamine; ENT-25294; TL 146; HN2; Chloramine (the nitrogen mustard); Chlormethine [INN:BAN]; UNII-50D9XSG0VR; Carolysine; CCRIS 447; Mebichloramine; N-Methyl-bis-chloraethylamin [German]; Embechine; T-1024; Diethylamine, 2,2'-dichloro-N-methyl-; HSDB 5083; EINECS 200-120-5; T 1024; BRN 0605323; 50D9XSG0VR; N-METHYL-DI(2-CHLORO)-ETHYLAMINE; Valchlor; Mechlorethanamine; Me chloroethamine; Methylchlorethamine; Chlormethine (INN); Ledaga; Bis(beta-chloroethyl) methylamine; Dichloren (Salt/Mix); Chlormethinehydrochloride; Caryolysin (Salt/Mix); Caryolysine (Salt/Mix); CHEMBL427; SCHEMBL3861; HMS502F21; NINDS_000759; BDBM200297; HMS1920J15; HMS2091B04; bis-(2-chloro-ethyl)-methyl-amine; ZINC2539484; CCG-39885; NSC757087; STL484282; AKOS006229862; DB00888; LS-7559; MCULE-6341452542; NSC-757087
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Formula |
C5H11Cl2N
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Canonical SMILES |
CN(CCCl)CCCl
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InChI |
1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3
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InChIKey |
HAWPXGHAZFHHAD-UHFFFAOYSA-N
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CAS Number |
CAS 51-75-2
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PubChem Compound ID | ||||||
ChEBI ID |
CHEBI:28925
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Parent Drug ID |
D04ZQS
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Parent Drug Name |
Estradiol
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Synonyms |
(+)-3,17-beta-Estradiol; (+)-3,17b-Estradiol; (+)-3,17beta-Estradiol; (17b)-Estra-1,3,5(10)-triene-3,17-diol; 1,3,5(10)-estratriene-3,17b-diol; 1,3,5,(10)-Estratrien-3,17-beta-diol; 1,3,5-Estratriene-3,17-beta-diol; 1,3,5-Estratriene-3,17beta-diol; 1,5-Estratriene-3,17-beta-diol; 17 beta-Estradiol; 17-beta-Estra-1,5(10)-triene-3,17-diol; 17-beta-Estradiol; 17-beta-Estradiol solution; 17-beta-OH-estradiol; 17-beta-OH-oestradiol; 17-beta-estradiol (E2); 17-beta-oestradiol; 17-estradiol; 17-estradiol group; 3,17-Epidihydroxyestratriene; 3,17-Epidihydroxyoestratriene; 3,17-b-Dihydroxyestra-1,3,5(10)-triene; 3,17-b-Estradiol; 3,17-beta-Dihydroxyestra-1,3,5-triene; 3,17-beta-Dihydroxyoestra-1,3,5-triene; 3,17-beta-Estradiol; 3,17-beta-Oestradiol; 3,3,5(10)-triene; 3,3,5-triene; A-Oestradiol; A-estradiol; Activella; Aerodiol; Alora; Altrad; Aquadiol; B-Estradiol; Bardiol; Benzogynestry; Bio-E-Gel; CHEMBL135; Climaderm; Climara; Climara Forte; Climara Pro; Combipatch; Compudose; Corpagen; D-3,17-beta-Estradiol; D-3,17-beta-Oestradiol; D-3,17beta-Estradiol; D-3,17beta-Oestradiol; D-Estradiol; D-Oestradiol; Dermestril; Destradiol; Dihydrofollicular hormone; Dihydrofolliculin; Dihydromenformon; Dihydrotheelin; Dihydroxyesterin; Dihydroxyestrin; Dihydroxyoestrin; Dimenformon; Diogyn; Diogynets; Divigel; E 8875; E0025; Elestrim; Elestrin; Encore; Epiestriol 50; Esclim; Estasorb; Estra-1,3,5(10)-triene-3,17-b-diol; Estra-1,3,5(10)-triene-3,17-beta-diol; Estra-1,3,5(10)-triene-3,17-diol; Estra-1,5(10)-triene-3,17-beta-diol; Estrace; Estraderm; Estraderm MX; Estraderm TTS; Estradiol; Estradiol,-beta-; Estradiol-17 beta; Estradiol-17-alpha; Estradiol-3,17beta; Estradiolo; Estradiolum; Estradot; Estraldine; Estrapak 50; Estrasorb; Estreva; Estrifam; Estring; Estring vaginal ring; Estroclim; Estrofem 2; Estrofem Forte; Estrogel; Estrogel HBF; Estrogens, esterified; Estropause; Estrovite; Evamist; Evorel; Extrasorb; Fem7; Femanest; Femestral; Femestrol; Femogen; Fempatch; Femtran; Follicyclin; Gelestra; Ginedisc; Ginosedol; GynPolar; Gynergon; Gynestrel; Gynodiol; Gynoestryl; Innofem; KG70300000; Lamdiol; Macrodiol; Macrol; Menest; Menorest; Microdiol; Minivelle; Nordicol; Oesclim; Oestergon; Oestra-1,3,5(10)-triene-3,17-beta-diol; Oestradiol; Oestradiol Berco; Oestradiol R; Oestradiol-17-beta; Oestradiol-17beta and esters; Oestradiolum; Oestrogel; Oestroglandol; Oestrogynal; Ovahormon; Ovasterol; Ovastevol; Ovociclina; Ovocyclin; Ovocycline; Ovocylin; Perlatanol; Polyestradiol; Primofol; Profoliol; Profoliol B; Progynon DH; Progynon-DH; SK-Estrogens; SL-1100; Sandrena 1; Sandrena Gel; Sisare Gel; Syndiol; Systen; TX-004HR; Tradelia; Trial SAT; Tritiated estradiol-17-beta; Trocosone; VIVELLE-DOT; Vagifem; Vivelle; WC-3011; WC3011; Yuvvexy; Z-4415; Zerella; Zesteem; Zesteen; Zumenon; [2,4,6,7-3H]-17beta-estradiol; [2,4,6,7-3H]-E2; alpha-Oestradiol; alpha-estradiol (obsolete); beta-Estradiol; beta-Estradiol, analytical standard; beta-Oestradiol; cis-Estradiol; cis-Oestradiol; delta-Estradiol; delta-Oestradiol; dihydro-Theelin; estradiol-17-beta; oestrodiol; progynon
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Formula |
C18H24O2
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Canonical SMILES |
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O
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InChI |
1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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InChIKey |
VOXZDWNPVJITMN-ZBRFXRBCSA-N
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CAS Number |
CAS 50-28-2
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PubChem Compound ID | ||||||
ChEBI ID |
CHEBI:16469
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References | Top | |||||
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REF 1 | Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2008 | |||||
REF 2 | Prodrugs: design and clinical applications. Nat Rev Drug Discov. 2008 Mar;7(3):255-70. | |||||
REF 3 | Prodrugs: a challenge for the drug development. Pharmacol Rep. 2013;65(1):1-14. | |||||
REF 4 | Estramustine phosphate sodium. Drug Intell Clin Pharm. 1984 May;18(5):368-74. |
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