Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01340
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| Drug Name |
Nafoxidine
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| Synonyms |
Nafoxidine; 1845-11-0; Nafoxidine [INN]; Nafoxidinum [INN-Latin]; Nafoxidina [INN-Spanish]; UNII-4RIY10WM82; U-11000A; BRN 1440873; CHEMBL28211; 4RIY10WM82; CHEBI:34881; NSC 70735; C29H31NO2; JEYWNNAZDLFBFF-UHFFFAOYSA-N; 1-(2-(p-(3,4-Dihydro-6-methoxy-2-phenyl-1-naphthyl)phenoxy)ethyl)pyrrolidine; Pyrrolidine, 1-(2-(4-(3,4-dihydro-6-methoxy-2-phenyl-1-naphthalenyl)phenoxy)ethyl)-; 1-[2-[4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine; Pyrrolidine, 1-(2-(p-(3,4-dihydro-6-methoxy-2-phenyl-1-naphthyl
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| Drug Type |
Small molecular drug
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| Indication | Advanced breast cancer [ICD11:2C60-2C6Z] | Preclinical | [1] | |||
| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C29H31NO2
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| Canonical SMILES |
COC1=CC2=C(C=C1)C(=C(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCN5CCCC5
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| InChI |
InChI=1S/C29H31NO2/c1-31-26-14-16-28-24(21-26)11-15-27(22-7-3-2-4-8-22)29(28)23-9-12-25(13-10-23)32-20-19-30-17-5-6-18-30/h2-4,7-10,12-14,16,21H,5-6,11,15,17-20H2,1H3
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| InChIKey |
JEYWNNAZDLFBFF-UHFFFAOYSA-N
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| CAS Number |
CAS 1845-11-0
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| Pharmaceutical Properties | Molecular Weight | 425.6 | Topological Polar Surface Area | 21.7 | ||
| Heavy Atom Count | 32 | Rotatable Bond Count | 7 | |||
| Hydrogen Bond Donor Count | 0 | Hydrogen Bond Acceptor Count | 3 | |||
| XLogP |
5.8
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| PubChem CID | ||||||
| PubChem SID |
794529
,5096570
,7847022
,8152730
,14905117
,29223513
,48110654
,48421892
,50038542
,53788181
,57322262
,77903400
,93165515
,103195570
,103960656
,104306343
,124899377
,125669770
,126665811
,128265252
,128265253
,134349497
,134980548
,137009443
,142396265
,178101080
,179150105
,198983433
,223442309
,223662464
,223860366
,226517813
,250095402
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| ChEBI ID |
CHEBI:34881
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | P-GP | Transporter Info | P-glycoprotein 1 | Substrate | [2] | |
| References | ||||||
| 1 | Hormones and Breast Cancer. | |||||
| 2 | Antiestrogens and steroid hormones: substrates of the human P-glycoprotein. Biochem Pharmacol. 1994 Jul 19;48(2):287-92. | |||||
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