| Entry |
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| Name |
Copanlisib hydrochloride (USAN) |
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| Formula |
C23H28N8O4. 2HCl
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| Exact mass |
552.1767
|
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| Mol weight |
553.44
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| Structure |
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| Simcomp |
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| Class |
Antineoplastic
DG03139 PI3K inhibitor
Metabolizing enzyme substrate
DG01891 CYP1A1 substrate
DG01633 CYP3A/CYP3A4 substrate
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| Remark |
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| Efficacy |
Antineoplastic, Phosphatidylinositol 3-kinase inhibitor |
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| 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
L01E PROTEIN KINASE INHIBITORS
L01EM Phosphatidylinositol-3-kinase (Pi3K) inhibitors
L01EM02 Copanlisib
D10797 Copanlisib hydrochloride (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG03139 PI3K inhibitor
DG01926 Copanlisib
D10797 Copanlisib hydrochloride
Metabolizing enzyme substrate
DG01891 CYP1A1 substrate
DG01926 Copanlisib
D10797 Copanlisib hydrochloride
DG01633 CYP3A/CYP3A4 substrate
DG01926 Copanlisib
D10797 Copanlisib hydrochloride
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Phosphotransferase
PIK3CA
D10797 Copanlisib hydrochloride (USAN)
PIK3CD
D10797 Copanlisib hydrochloride (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10797
Drug groups [BR:br08330]
Antineoplastic
DG03139 PI3K inhibitor
DG01926 Copanlisib
Metabolizing enzyme substrate
DG01891 CYP1A1 substrate
DG01926 Copanlisib
DG01633 CYP3A/CYP3A4 substrate
DG01926 Copanlisib
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 37
1 N5x N 12.1800 -16.3800
2 C8y C 12.1800 -17.7800
3 C8y C 13.3700 -18.4800
4 C8y C 14.6300 -17.7800
5 N4y N 14.6300 -16.3800
6 C8y C 13.3700 -15.6800
7 N2x N 15.9600 -18.2000
8 C1x C 16.7300 -17.0800
9 C1x C 15.9600 -15.9600
10 C8y C 10.9900 -18.4800
11 C8y C 10.9900 -19.8800
12 C8x C 12.1800 -20.5800
13 C8x C 13.3700 -19.8800
14 O2a O 9.8000 -17.7800
15 C1a C 8.6100 -18.4800
16 O2a O 9.8000 -20.5800
17 C1b C 8.6100 -19.8800
18 C1b C 7.4200 -20.5800
19 C1b C 6.2300 -19.8800
20 N1y N 5.0400 -20.5800
21 C1x C 3.8500 -19.8800
22 C1x C 2.5900 -20.5800
23 O2x O 2.5900 -21.9800
24 C1x C 3.7800 -22.6800
25 C1x C 5.0400 -21.9800
26 N1b N 13.3700 -14.2800
27 C5a C 12.1800 -13.5800
28 C8y C 10.9900 -14.2800
29 O5a O 12.1800 -12.1800
30 C8x C 9.8000 -13.5800
31 N5x N 8.5400 -14.2800
32 C8y C 8.5400 -15.6800
33 N5x N 9.7300 -16.3800
34 C8x C 10.9900 -15.6800
35 N1a N 7.3500 -16.3800
36 X Cl 20.0900 -16.4500
37 X Cl 20.0900 -18.4100
BOND 39
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 2
7 4 7 2
8 7 8 1
9 8 9 1
10 5 9 1
11 2 10 2
12 10 11 1
13 11 12 2
14 12 13 1
15 3 13 2
16 10 14 1
17 14 15 1
18 11 16 1
19 16 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 20 25 1
29 6 26 1
30 26 27 1
31 27 28 1
32 27 29 2
33 28 30 2
34 30 31 1
35 31 32 2
36 32 33 1
37 33 34 2
38 28 34 1
39 32 35 1
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