Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01487
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| Drug Name |
4-Hydroxytamoxifen
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| Synonyms |
4-Hydroxytamoxifen; Afimoxifene; (Z)-4-Hydroxytamoxifen; Hydroxytamoxifen; 4-Monohydroxytamoxifen; Tamogel; 68047-06-3; trans-4-Hydroxytamoxifen; Ici 79280; 68392-35-8; 65213-48-1; 4-OH-TAM; (Z)-4-(1-(4-(2-(Dimethylamino)ethoxy)phenyl)-2-phenylbut-1-en-1-yl)phenol; Z-4-hydroxytamoxifen; UNII-95K54647BZ; CHEMBL489; ICI 79,280; TAMOXIFEN, 4-HYDROXY-, (Z)-; BRN 4910749; (E/Z)-4-Hydroxy Tamoxifen; MLS000069742; C26H29NO2; CHEBI:44616; 95K54647BZ; SMR000058939; 4-(1-(4-(2-(Dimethylamino)ethoxy)phenyl)-2-phenylbut-1-enyl)phenol
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| Drug Type |
Small molecular drug
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| Indication | Breast cancer [ICD11:2C60-2C6Z] | Phase 3 | [1] | |||
| Structure |
|
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| 3D MOL | 2D MOL | |||||
| Formula |
C26H29NO2
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| Canonical SMILES |
CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3
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| InChI |
InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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| InChIKey |
TXUZVZSFRXZGTL-QPLCGJKRSA-N
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| CAS Number |
CAS 68047-06-3
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| Pharmaceutical Properties | Molecular Weight | 387.5 | Topological Polar Surface Area | 32.7 | ||
| Heavy Atom Count | 29 | Rotatable Bond Count | 8 | |||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 3 | |||
| XLogP |
6.8
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| PubChem CID | ||||||
| PubChem SID |
7494
,835333
,7889566
,10300358
,11532960
,14719814
,14719815
,14805025
,24895736
,24895814
,24899989
,26757818
,26759601
,36891034
,46393897
,47208207
,48243335
,49688682
,49846252
,50005439
,50065066
,53788270
,53789854
,56422185
,57404921
,57570889
,57654657
,77095723
,85788533
,87219226
,91613892
,93165645
,93167122
,103169566
,104640983
,124799764
,124893066
,126639485
,126671492
,126685161
,134341205
,135021191
,135065359
,135610264
,137156415
,142089319
,144208141
,162226886
,163414603
,163687254
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| ChEBI ID |
CHEBI:44616
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | |
| References | ||||||
| 1 | ClinicalTrials.gov (NCT03199963) Trial of 4-OHT Gel in Women Aimed at Reducing Dense Breast Tissue | |||||
| 2 | Antiestrogens and steroid hormones: substrates of the human P-glycoprotein. Biochem Pharmacol. 1994 Jul 19;48(2):287-92. | |||||
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