| Entry |
|
|---|
| Name |
Leniolisib (USAN/INN) |
|---|
| Formula |
C21H25F3N6O2
|
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| Exact mass |
450.1991
|
|---|
| Mol weight |
450.46
|
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| Structure |
|
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| Simcomp |
|
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| Class |
Antineoplastic
DG03139 PI3K inhibitor
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
|---|
| Remark |
| Product (DG02927): | D11159<US> |
|
|---|
| Efficacy |
Immunomodulator, Phosphatidylinositol 3-kinase inhibitor |
|---|
| Comment |
Treatment of APDS, lymphadenopathy and immunodeficiency
|
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| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
|
|---|
| Interaction |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L03 IMMUNOSTIMULANTS
L03A IMMUNOSTIMULANTS
L03AX Other immunostimulants
L03AX22 Leniolisib
D11158 Leniolisib (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG03139 PI3K inhibitor
DG02927 Leniolisib
D11158 Leniolisib
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG02927 Leniolisib
D11158 Leniolisib
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Phosphotransferase
PIK3C
D11158 Leniolisib (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D11158
Drug groups [BR:br08330]
Antineoplastic
DG03139 PI3K inhibitor
DG02927 Leniolisib
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG02927 Leniolisib
|
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| Other DBs |
|
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| KCF data |
ATOM 32
1 C8y C 15.6100 -13.7200
2 C8y C 15.6100 -12.3200
3 N5x N 14.4200 -11.6200
4 C8x C 13.1600 -12.3200
5 N5x N 13.1600 -13.7200
6 C8y C 14.4200 -14.4200
7 C1x C 16.8000 -14.4200
8 N1y N 18.0600 -13.7200
9 C1x C 18.0600 -12.3200
10 C1x C 16.8000 -11.6200
11 C8y C 19.2500 -14.4200
12 C8x C 19.2500 -15.8200
13 N5x N 20.5100 -16.5200
14 C8y C 21.7000 -15.8200
15 C8y C 21.7000 -14.4200
16 C8x C 20.5100 -13.7200
17 O2a O 22.8900 -16.5200
18 C1a C 24.0800 -15.8200
19 C1d C 22.8900 -13.7200
20 X F 24.1500 -13.0200
21 X F 23.5900 -14.9100
22 X F 22.1900 -12.5300
23 N1b N 14.4200 -15.8200
24 C1y C 15.6100 -16.5200
25 C1x C 15.1900 -17.8500
26 N1y N 16.3100 -18.6900
27 C1x C 17.4300 -17.8500
28 C1x C 17.0100 -16.5200
29 C5a C 16.3100 -20.0900
30 C1b C 17.5000 -20.7900
31 O5a O 15.1200 -20.7900
32 C1a C 18.6900 -20.0900
BOND 35
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 1 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 2 10 1
12 8 11 1
13 11 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 11 16 2
19 14 17 1
20 17 18 1
21 15 19 1
22 19 20 1
23 19 21 1
24 19 22 1
25 6 23 1
26 24 23 1 #Up
27 24 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 24 28 1
32 26 29 1
33 29 30 1
34 29 31 2
35 30 32 1
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