Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0Q9CY
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| Former ID |
DCL000346
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| Drug Name |
HKI-272
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| Synonyms |
Neratinib (ERBB2 inhibitor)
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| Drug Type |
Small molecular drug
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| Indication | Breast cancer [ICD-11: 2C60-2C65] | Phase 3 | [1], [2] | |
| Therapeutic Class |
Anticancer Agents
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| Company |
Wyeth Research
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| Structure |
 |
Download2D MOL |
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| Formula |
C30H29ClN6O3
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| Canonical SMILES |
CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)C=CCN(C)C
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| InChI |
1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+
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| InChIKey |
JWNPDZNEKVCWMY-VQHVLOKHSA-N
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| CAS Number |
CAS 698387-09-6
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| PubChem Compound ID | ||||
| PubChem Substance ID |
14886227, 24194959, 45987396, 76593408, 96025633, 103441767, 104048227, 104253482, 109693540, 121277958, 123055351, 124757612, 124950160, 125164416, 126665957, 126731400, 131477696, 134342020, 134964338, 135252601, 135727425, 136348728, 136367583, 136367864, 137006066, 139363252, 143497501, 144116272, 152186746, 152234948, 152258784, 152344179, 160647635, 162011383, 162037785, 162200061, 163883153, 164041890, 172914303, 174530425, 177748696, 178102313, 180371634, 185978452, 198962615, 223381071, 223471413, 223679237, 226878157, 226878158
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| ChEBI ID |
CHEBI:61397
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| References | Top | |||
|---|---|---|---|---|
| REF 1 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800021154) | |||
| REF 2 | Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA) | |||
| REF 3 | Dual irreversible kinase inhibitors: quinazoline-based inhibitors incorporating two independent reactive centers with each targeting different cyst... Bioorg Med Chem. 2007 Jun 1;15(11):3635-48. | |||
| REF 4 | Identification of genotype-correlated sensitivity to selective kinase inhibitors by using high-throughput tumor cell line profiling. Proc Natl Acad Sci U S A. 2007 Dec 11;104(50):19936-41. | |||
| REF 5 | A comparison of physicochemical property profiles of marketed oral drugs and orally bioavailable anti-cancer protein kinase inhibitors in clinical development. Curr Top Med Chem. 2007;7(14):1408-22. | |||
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