Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR01390
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| Drug Name |
CP-724714
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| Synonyms |
CP 724714; CP-724,714; CP724,714, CP-724,714; 2-Methoxy-N-(3-(4-((3-methyl-4-((6-methyl-3-pyridinyl)oxy)phenyl)amino)-6-quinazolinyl)-2-propenyl)acetamide; 2-Methoxy-N-[(2E)-3-[4-[[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]amino]-6-quinazolinyl]-2-propen-1-yl]acetamide
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| Drug Type |
Small molecular drug
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| Indication | Breast cancer [ICD11:2C60-2C6Z] | Phase 1 | [1] | |||
| Therapeutic Class |
Anticancer Agents
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C27H27N5O3
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| Canonical SMILES |
CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C=CCNC(=O)COC)C
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| InChI |
InChI=1S/C27H27N5O3/c1-18-13-21(8-11-25(18)35-22-9-6-19(2)29-15-22)32-27-23-14-20(7-10-24(23)30-17-31-27)5-4-12-28-26(33)16-34-3/h4-11,13-15,17H,12,16H2,1-3H3,(H,28,33)(H,30,31,32)/b5-4+
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| InChIKey |
LLVZBTWPGQVVLW-SNAWJCMRSA-N
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| CAS Number |
CAS 845680-17-3
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| Pharmaceutical Properties | Molecular Weight | 469.5 | Topological Polar Surface Area | 98.3 | ||
| Heavy Atom Count | 35 | Rotatable Bond Count | 9 | |||
| Hydrogen Bond Donor Count | 2 | Hydrogen Bond Acceptor Count | 7 | |||
| XLogP |
4.3
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| PubChem CID | ||||||
| PubChem SID |
14907431
,24164339
,45621889
,50100096
,74684963
,99436923
,103641275
,109693627
,118049527
,123051111
,124757046
,125163850
,126726428
,131480713
,135263665
,135653490
,136340153
,136367341
,136367983
,136920311
,142560911
,144115847
,144236584
,152258589
,162011933
,162037476
,162202660
,163642442
,163686131
,164825263
,172086266
,174561044
,177749068
,180371631
,185998810
,188899554
,198937309
,202547998
,223366212
,223669186
,223705210
,223936181
,226472380
,230530185
,251971144
,252160232
,252215195
,252219937
,252471201
,252543303
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| ChEBI ID |
CHEBI:91331
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| TTD Drug ID | ||||||
| DT(s) Transporting This Drug | BCRP | Transporter Info | Breast cancer resistance protein | Substrate | [2] | |
| References | ||||||
| 1 | ClinicalTrials.gov (NCT00102895) A Research Study of CP-724,714 in Patients With HER2 Overexpressing Metastatic Breast Cancer | |||||
| 2 | Multi-drug-resistance-reverting agents: 2-aryloxazole and 2-arylthiazole derivatives as potent BCRP or MRP1 inhibitors. ChemMedChem. 2009 Feb;4(2):188-95. | |||||
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