| Entry |
|
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| Name |
Sonidegib (USAN/INN);
Erismodegib |
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| Formula |
C26H26F3N3O3
|
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| Exact mass |
485.1926
|
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| Mol weight |
485.50
|
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| Structure |
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| Simcomp |
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| Class |
Antineoplastic
DG01566 Hedgehog signaling inhibitor
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
|
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| Remark |
| Product (DG01854): | D10729<US> |
|
|---|
| Efficacy |
Antineoplastic, Smoothened receptor antagonist |
|---|
| Target |
|
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| Pathway |
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| Metabolism |
|
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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
L01XJ Hedgehog pathway inhibitors
L01XJ02 Sonidegib
D10119 Sonidegib (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG01566 Hedgehog signaling inhibitor
DG01854 Sonidegib
D10119 Sonidegib
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG01854 Sonidegib
D10119 Sonidegib
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Frizzled / Smoothened family
Smoothened
SMO
D10119 Sonidegib (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10119
Drug groups [BR:br08330]
Antineoplastic
DG01566 Hedgehog signaling inhibitor
DG01854 Sonidegib
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG01854 Sonidegib
|
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| Other DBs |
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| KCF data |
ATOM 35
1 O2x O 14.2100 -20.3000
2 C1y C 14.2100 -21.7000
3 C1x C 15.4224 -22.4000
4 N1y N 16.6349 -21.7000
5 C1x C 16.6349 -20.3000
6 C1y C 15.4224 -19.6000
7 C1a C 15.4224 -18.2002
8 C1a C 12.9976 -22.4000
9 C8y C 17.8660 -22.4110
10 N5x N 17.8657 -23.7999
11 C8x C 19.0780 -24.5002
12 C8y C 20.2906 -23.8005
13 C8x C 20.2909 -22.4116
14 C8x C 19.0786 -21.7113
15 N1b N 21.5097 -24.5047
16 C5a C 22.7094 -23.8123
17 C8y C 23.8943 -24.4967
18 O5a O 22.7100 -22.4003
19 C8x C 23.8941 -25.8998
20 C8x C 25.1064 -26.6000
21 C8x C 26.3190 -25.9002
22 C8y C 26.3192 -24.4971
23 C8y C 25.1069 -23.7969
24 C1a C 25.1072 -22.4002
25 C8y C 27.5311 -23.7977
26 C8x C 28.7285 -24.4895
27 C8x C 29.9411 -23.7898
28 C8y C 29.9415 -22.3898
29 C8x C 28.7441 -21.6981
30 C8x C 27.5315 -22.3977
31 O2a O 31.1634 -21.6846
32 C1d C 32.3722 -22.3829
33 X F 33.5532 -21.7013
34 X F 32.3723 -23.7996
35 X F 33.5674 -23.0735
BOND 38
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 6 7 1 #Down
8 2 8 1 #Down
9 4 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 9 14 1
16 12 15 1
17 15 16 1
18 16 17 1
19 16 18 2
20 17 19 2
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 17 23 1
26 23 24 1
27 22 25 1
28 25 26 2
29 26 27 1
30 27 28 2
31 28 29 1
32 29 30 2
33 25 30 1
34 28 31 1
35 31 32 1
36 32 33 1
37 32 34 1
38 32 35 1
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