| Entry |
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| Name |
Dasatinib hydrate (JAN);
Dasatinib (USAN);
Sprycel (TN)
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| Product |
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| Formula |
C22H26ClN7O2S. H2O
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| Exact mass |
505.1663
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| Mol weight |
506.0208
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| Structure |
     |
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| Activity |
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| Remark |
Therapeutic category: ATC code: |
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| Comment |
Indication: Philadelphia chromosome-positive (Ph+) chronic myeloid leukemia (CML), Philadelphia chromosome-positive acute lymphoblastic leukemia (Ph+ ALL)
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| Target |
Bcr-Abl tyrosine kinase inhibitor [HSA: 25] [KO: K06619]; c-KIT tyrosine kinase inhibitor [HSA: 3815] [KO: K05091]; src tyrosine kinase inhibitor [HSA: 6714] [KO: K05704]; Eph receptor A2 antagonist [HSA: 1969] [KO: K05103]; PDGFRB tyrosine kinase inhibitor [HSA: 5159] [KO: K05089] |
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| Pathway |
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| Metabolism |
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| Interaction |
Genomic biomarker: Philadelphia chromosome positive
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| Structure map |
| Antineoplastics - protein kinases inhibitors |
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| Brite |
Therapeutic category of drugs in Japan [BR:br08301]
4 Agents affecting cellular function
42 Antineoplastics
429 Miscellaneous
4291 Other Antitumors
D06414 Dasatinib hydrate (JAN); Dasatinib (USAN)
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01X OTHER ANTINEOPLASTIC AGENTS
L01XE Protein kinase inhibitors
L01XE06 Dasatinib
D06414 Dasatinib hydrate (JAN); Dasatinib (USAN)
USP drug classification [BR:br08302]
Antineoplastics
Molecular Target Inhibitors
Multitargeted Kinase Inhibitors, Bcr-Abl / c-kit Receptor Tyrosine Kinase Inhibitors
Dasatinib
D06414 Dasatinib hydrate (JAN); Dasatinib (USAN)
Target-based classification of drugs [BR:br08310]
Cytokine receptors
Receptor tyrosine kinase
RTK class III (PDGF receptor family)
PDGFRB tyrosine kinase [HSA:5159] [KO:K05089]
Dasatinib [ATC:L01XE06]
D06414 Dasatinib hydrate (JAN); Dasatinib (USAN)
c-KIT tyrosine kinase [HSA:3815] [KO:K05091]
Dasatinib [ATC:L01XE06]
D06414 Dasatinib hydrate (JAN); Dasatinib (USAN)
RTK class VIII (EPH receptor family)
Eph receptor A2 [HSA:1969] [KO:K05103]
Dasatinib [ATC:L01XE06]
D06414 Dasatinib hydrate (JAN); Dasatinib (USAN)
Protein kinases
Tyrosine protein kinases
Abl family
Bcr-Abl tyrosine kinase [HSA:25] [KO:K06619]
Dasatinib [ATC:L01XE06]
D06414 Dasatinib hydrate (JAN); Dasatinib (USAN)
Src family
Src tyrosine kinase [HSA:6714] [KO:K05704]
Dasatinib [ATC:L01XE06]
D06414 Dasatinib hydrate (JAN); Dasatinib (USAN)
Antineoplastics [BR:br08308]
Molecularly targeted agents
Receptor tyrosine kinase inhibitors
Dasatinib [ATC:L01XE06]
D06414 Dasatinib hydrate (JAN); Dasatinib (USAN)
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| Other DBs |
CAS: 863127-77-9 PubChem: LigandBox: |
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| KCF data |
ATOM 34
1 C8y C 13.3022 -5.7416
2 N5x N 13.3022 -7.1418
3 C8y C 14.5147 -7.8419
4 N5x N 15.7274 -7.1418
5 C8y C 15.7274 -5.7416
6 C8x C 14.5147 -5.0414
7 N1b N 12.0896 -5.0414
8 C8y C 10.8769 -5.7441
9 S2x S 9.7404 -4.9261
10 C8y C 8.6113 -5.7541
11 C8x C 9.0499 -7.0839
12 N5x N 10.4500 -7.0777
13 C1a C 14.5147 -9.2418
14 N1y N 16.9587 -5.0304
15 C1x C 18.1641 -5.7263
16 C1x C 19.3766 -5.0260
17 N1y N 19.3766 -3.6258
18 C1x C 18.1712 -2.9300
19 C1x C 16.9586 -3.6302
20 C1b C 20.5947 -2.9223
21 C1b C 21.8068 -3.6219
22 O1a O 22.9858 -2.9409
23 C5a C 7.4654 -4.9082
24 N1b N 6.1887 -5.4834
25 C8y C 5.0522 -4.6655
26 O5a O 7.4740 -3.5160
27 C8y C 5.0522 -3.2653
28 C8x C 3.8396 -2.5652
29 C8x C 2.6270 -3.2653
30 C8x C 2.6270 -4.6655
31 C8y C 3.8396 -5.3656
32 X Cl 6.2453 -2.5768
33 C1a C 3.8394 -6.7900
34 O0 O 20.3032 -8.7519
BOND 36
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 2
12 11 12 1
13 8 12 2
14 3 13 1
15 5 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 14 19 1
22 17 20 1
23 20 21 1
24 21 22 1
25 10 23 1
26 23 24 1
27 24 25 1
28 23 26 2
29 25 27 1
30 27 28 2
31 28 29 1
32 29 30 2
33 30 31 1
34 25 31 2
35 27 32 1
36 31 33 1
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