| Entry |
|
|---|
| Name |
Copanlisib hydrochloride hydrate (JAN);
Aliqopa (TN) |
|---|
| Product |
|
|---|
| Formula |
C23H28N8O4. 2HCl. xH2O
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG03139 PI3K inhibitor
Metabolizing enzyme substrate
DG01891 CYP1A1 substrate
DG01633 CYP3A/CYP3A4 substrate
|
|---|
| Remark |
| Product (DG01926): | D10798<US> |
|
|---|
| Efficacy |
Antineoplastic, Phosphatidylinositol 3-kinase inhibitor |
|---|
| Disease |
Follicular lymphoma [DS: H01613] |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
|
|---|
| Interaction |
|
|---|
| 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
D10798 Copanlisib hydrochloride hydrate (JAN) <US>
Drug groups [BR:br08330]
Antineoplastic
DG03139 PI3K inhibitor
DG01926 Copanlisib
D10798 Copanlisib hydrochloride hydrate
Metabolizing enzyme substrate
DG01891 CYP1A1 substrate
DG01926 Copanlisib
D10798 Copanlisib hydrochloride hydrate
DG01633 CYP3A/CYP3A4 substrate
DG01926 Copanlisib
D10798 Copanlisib hydrochloride hydrate
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Phosphotransferase
PIK3CA
D10798 Copanlisib hydrochloride hydrate (JAN) <US>
PIK3CD
D10798 Copanlisib hydrochloride hydrate (JAN) <US>
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10798
Drug groups [BR:br08330]
Antineoplastic
DG03139 PI3K inhibitor
DG01926 Copanlisib
Metabolizing enzyme substrate
DG01891 CYP1A1 substrate
DG01926 Copanlisib
DG01633 CYP3A/CYP3A4 substrate
DG01926 Copanlisib
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 38
1 N5x N 19.5187 -15.1112
2 C8y C 19.5187 -16.5104
3 C8y C 20.7080 -17.2100
4 C8y C 21.9672 -16.5104
5 N4y N 21.9672 -15.1112
6 C8y C 20.7080 -14.4116
7 N2x N 23.2965 -16.9302
8 C1x C 24.0660 -15.8108
9 C1x C 23.2965 -14.6915
10 C8y C 18.3294 -17.2100
11 C8y C 18.3294 -18.6092
12 C8x C 19.5187 -19.3088
13 C8x C 20.7080 -18.6092
14 O2a O 17.1400 -16.5104
15 C1a C 15.8808 -17.2100
16 O2a O 17.1400 -19.3088
17 C1b C 15.8808 -18.6092
18 C1b C 14.6915 -19.3088
19 C1b C 13.5022 -18.6092
20 N1y N 12.3128 -19.3088
21 C1x C 11.1235 -18.6092
22 C1x C 9.8643 -19.3088
23 O2x O 9.8643 -20.7080
24 C1x C 11.0536 -21.4076
25 C1x C 12.3128 -20.7080
26 N1b N 20.7080 -13.0124
27 C5a C 19.5187 -12.3128
28 C8y C 18.3294 -13.0124
29 O5a O 19.5187 -10.9137
30 C8x C 17.1400 -12.3128
31 N5x N 15.8108 -13.0124
32 C8y C 15.8108 -14.4116
33 N5x N 17.0701 -15.1112
34 C8x C 18.3294 -14.4116
35 N1a N 14.6215 -15.1112
36 X Cl 27.4241 -15.1812
37 X Cl 27.4241 -17.1400
38 O0 O 26.8800 -20.4400
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
BRACKET 1 24.7800 -21.2800 24.7800 -19.4600
1 27.7200 -19.4600 27.7200 -21.2800
1 x
ORIGINAL 1 38
REPEAT 1
|
|---|