| Entry |
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| Name |
Navitoclax (JAN/USAN/INN) |
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| Formula |
C47H55ClF3N5O6S3
|
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| Exact mass |
973.2955
|
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| Mol weight |
974.62
|
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| Structure |
|
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| Simcomp |
|
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| Class |
Unclassified
DG03337 BCL-2 inhibitor
|
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| Remark |
|
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| Efficacy |
Antineoplastic, Bcl-2 family inhibitor |
|---|
| Target |
|
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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
L01X OTHER ANTINEOPLASTIC AGENTS
L01XX Other antineoplastic agents
L01XX78 Navitoclax
D09935 Navitoclax (JAN/USAN/INN)
Drug groups [BR:br08330]
Unclassified
DG03337 BCL-2 inhibitor
DG03204 Navitoclax
D09935 Navitoclax
Target-based classification of drugs [BR:br08310]
Not elsewhere classified
Cellular process
Apoptosis
BCL2L
D09935 Navitoclax (JAN/USAN/INN)
Drug groups [BR:br08330]
Unclassified
DG03337 BCL-2 inhibitor
DG03204 Navitoclax
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| Other DBs |
|
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| KCF data |
ATOM 65
1 C1x C 21.6609 -27.0596
2 N1y N 21.6609 -28.4625
3 C1x C 22.8759 -29.1640
4 C1x C 24.0910 -28.4625
5 N1y N 24.0910 -27.0596
6 C1x C 22.8759 -26.3581
7 C8y C 25.3247 -26.3470
8 C1b C 20.4459 -29.1640
9 C2y C 19.2478 -28.4722
10 C1x C 19.2477 -27.0599
11 C1z C 18.0327 -26.3584
12 C1x C 16.8177 -27.0599
13 C1x C 16.8177 -28.4723
14 C2y C 18.0327 -29.1737
15 C8y C 18.0326 -30.5669
16 C8x C 16.8029 -31.2770
17 C8x C 16.8029 -32.6800
18 C8y C 18.0180 -33.3814
19 C8x C 19.2477 -32.6714
20 C8x C 19.2477 -31.2684
21 C8x C 26.5325 -27.0442
22 C8x C 27.7474 -26.3426
23 C8y C 27.7474 -24.9396
24 C8x C 26.5396 -24.2424
25 C8x C 25.3246 -24.9440
26 C5a C 28.9679 -24.2347
27 N1b N 30.1825 -24.9357
28 S4a S 31.3639 -24.2534
29 C8y C 32.5622 -24.9452
30 O5a O 28.9676 -22.8506
31 C1a C 17.3312 -25.1434
32 C1a C 18.7342 -25.1434
33 X Cl 18.0180 -34.7760
34 C8x C 32.5624 -26.3578
35 C8x C 33.7775 -27.0591
36 C8y C 34.9924 -26.3574
37 C8y C 34.9922 -24.9448
38 C8x C 33.7771 -24.2435
39 O3c O 30.6624 -23.0384
40 O3c O 32.0654 -23.0384
41 S4a S 36.2212 -24.2354
42 C1d C 37.4035 -24.9181
43 O3c O 35.5212 -23.0229
44 O3c O 36.9212 -23.0229
45 X F 38.5974 -24.2287
46 X F 37.4035 -26.3198
47 X F 38.6160 -25.6181
48 N1b N 36.2248 -27.0681
49 C1c C 36.2248 -28.4681
50 C1b C 34.9768 -29.1886
51 C1b C 37.4199 -29.1588
52 C1b C 38.6410 -28.4541
53 N1y N 39.8377 -29.1449
54 S2a S 33.7825 -28.4989
55 C8y C 32.5945 -29.1847
56 C8x C 31.4036 -28.4969
57 C8x C 30.1911 -29.1967
58 C8x C 30.1909 -30.5967
59 C8x C 31.3817 -31.2845
60 C8x C 32.5943 -30.5847
61 C1x C 39.8377 -30.5200
62 C1x C 41.0502 -31.2200
63 O2x O 42.2626 -30.5200
64 C1x C 42.2626 -29.1449
65 C1x C 41.0502 -28.4449
BOND 71
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 5 7 1
8 2 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 9 14 2
16 14 15 1
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 19 20 1
22 15 20 2
23 7 21 1
24 21 22 2
25 22 23 1
26 23 24 2
27 24 25 1
28 7 25 2
29 23 26 1
30 26 27 1
31 27 28 1
32 28 29 1
33 26 30 2
34 11 31 1
35 11 32 1
36 18 33 1
37 29 34 2
38 34 35 1
39 35 36 2
40 36 37 1
41 37 38 2
42 29 38 1
43 28 39 2
44 28 40 2
45 37 41 1
46 41 42 1
47 41 43 2
48 41 44 2
49 42 45 1
50 42 46 1
51 42 47 1
52 36 48 1
53 48 49 1
54 49 50 1 #Down
55 49 51 1
56 51 52 1
57 52 53 1
58 50 54 1
59 54 55 1
60 55 56 2
61 56 57 1
62 57 58 2
63 58 59 1
64 59 60 2
65 55 60 1
66 53 61 1
67 61 62 1
68 62 63 1
69 63 64 1
70 64 65 1
71 53 65 1
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