Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00618
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| Drug Name |
Vandetanib
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| Synonyms |
4-(4-Bromo-2-fluoroanilino)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline; AZD-6474; CH 331; CH-331; F9995-0087; N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-((1-methyl-4-piperidinyl)methoxy)-4-quinazolinamine; N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-((1-methylpiperidin-4-yl)methoxy)quinazolin-4-amine; N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine; Vandetanib (JAN/INN); Vandetanib (Pan-TK inhibitor); Vandetanib [INN]; Vandetanib, Zactima, ZD6474; ZD 6474; ZD-6474; ZD6474; Zactima; Zactima, ZD6474
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| Drug Type |
Small molecular drug
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| Indication | Thyroid gland tumours [ICD11:2D10] | Approved | [1] | |||
| Therapeutic Class |
Anticancer Agents
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C22H24BrFN4O2
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| Canonical SMILES |
CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC
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| InChI |
InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
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| InChIKey |
UHTHHESEBZOYNR-UHFFFAOYSA-N
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| CAS Number |
CAS 443913-73-3
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| Pharmaceutical Properties | Molecular Weight | 475.4 | Topological Polar Surface Area | 59.5 | ||
| Heavy Atom Count | 30 | Rotatable Bond Count | 6 | |||
| Hydrogen Bond Donor Count | 1 | Hydrogen Bond Acceptor Count | 7 | |||
| XLogP |
4.9
|
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| PubChem CID | ||||||
| PubChem SID |
103194628
,103905338
,111682639
,12015522
,123110212
,124756961
,124772087
,124893337
,124893338
,125163767
,125350704
,126619162
,126651857
,126661732
,126731545
,127330006
,127330007
,131333378
,131408693
,134339002
,134964431
,135228305
,135685324
,135685325
,135685344
,135697656
,135727395
,14716916
,14761077
,36412170
,46394288
,47208064
,49742597
,50068212
,50100123
,50112766
,50599279
,53789193
,57354678
,8030012
,8034317
,85246147
,91147360
,92721418
,93309619
,93581029
,93692935
,9471114
,99436956
,99445235
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| ChEBI ID |
ChEBI:49960
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | BCRP | Transporter Info | Breast cancer resistance protein | Substrate | [2] | |
| OATP1B1 | Transporter Info | Organic anion transporting polypeptide 1B1 | Substrate | [3] | ||
| OATP1B3 | Transporter Info | Organic anion transporting polypeptide 1B3 | Substrate | [3] | ||
| References | ||||||
| 1 | Vandetanib was approved by FDA. The official website of the U.S. Food and Drug Administration. (2019) | |||||
| 2 | Tyrosine kinase inhibitors and multidrug resistance proteins: interactions and biological consequences. Cancer Chemother Pharmacol. 2010 Jan;65(2):335-46. | |||||
| 3 | Contribution of OATP1B1 and OATP1B3 to the disposition of sorafenib and sorafenib-glucuronide. Clin Cancer Res. 2013 Mar 15;19(6):1458-66. | |||||
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