| Entry |
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| Name |
Duvelisib (USAN/INN) |
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| Formula |
C22H17ClN6O
|
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| Exact mass |
416.1152
|
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| Mol weight |
416.863
|
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| Structure |
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| Simcomp |
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| Class |
Antineoplastic
DG03139 PI3K inhibitor
|
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| Remark |
| Product (DG03073): | D11658<US> |
|
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| Efficacy |
Antineoplastic, Phosphatidylinositol 3-kinase inhibitor |
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| Target |
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| Pathway |
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| Interaction |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01E PROTEIN KINASE INHIBITORS
L01EM Phosphatidylinositol-3-kinase (Pi3K) inhibitors
L01EM04 Duvelisib
D10555 Duvelisib (USAN/INN)
USP drug classification [BR:br08302]
Antineoplastics
Molecular Target Inhibitors
Duvelisib
D10555 Duvelisib (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG03139 PI3K inhibitor
DG03073 Duvelisib
D10555 Duvelisib
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Phosphotransferase
PIK3CD
D10555 Duvelisib (USAN/INN)
PIK3CG
D10555 Duvelisib (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG03139 PI3K inhibitor
DG03073 Duvelisib
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 30
1 N5x N 18.8129 -19.6460
2 C8x C 18.8129 -21.0442
3 N5x N 20.0237 -21.7432
4 C8y C 21.2346 -21.0442
5 C8y C 21.2346 -19.6460
6 C8y C 20.0237 -18.9470
7 N5x N 22.5643 -21.4762
8 C8x C 23.3861 -20.3451
9 N4x N 22.5643 -19.2140
10 N1b N 20.0237 -17.5490
11 C1c C 18.7961 -16.8401
12 C1a C 17.5938 -17.5342
13 C8y C 18.7963 -15.4517
14 C8x C 20.0197 -14.7456
15 C8y C 20.0198 -13.3474
16 C8y C 18.8090 -12.6483
17 C8y C 17.5858 -13.3544
18 N4y N 17.5856 -14.7526
19 C8y C 16.3517 -15.4651
20 C8x C 15.1459 -14.7691
21 C8x C 13.9351 -15.4683
22 C8x C 13.9352 -16.8664
23 C8x C 15.1410 -17.5624
24 C8x C 16.3518 -16.8632
25 C8x C 21.2307 -12.6485
26 C8x C 21.2308 -11.2503
27 C8x C 20.0201 -10.5512
28 C8y C 18.8092 -11.2501
29 O5x O 16.3519 -12.6416
30 X Cl 17.6043 -10.5544
BOND 34
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 2
9 8 9 1
10 5 9 1
11 6 10 1
12 10 11 1
13 11 12 1 #Up
14 11 13 1
15 13 14 2
16 14 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 13 18 1
21 18 19 1
22 19 20 2
23 20 21 1
24 21 22 2
25 22 23 1
26 23 24 2
27 19 24 1
28 15 25 2
29 25 26 1
30 26 27 2
31 27 28 1
32 16 28 2
33 17 29 2
34 28 30 1
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