| Entry |
|
|---|
| Name |
Parsaclisib hydrochloride (JAN/USAN) |
|---|
| Formula |
C20H22ClFN6O2. HCl
|
|---|
| Exact mass |
468.1244
|
|---|
| Mol weight |
469.34
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG03139 PI3K inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Phosphatidylinositol 3-kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
| hsa04662 | B cell receptor signaling pathway |
|
|---|
| 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
L01EM05 Parsaclisib
D11506 Parsaclisib hydrochloride (JAN/USAN)
Drug groups [BR:br08330]
Antineoplastic
DG03139 PI3K inhibitor
DG03025 Parsaclisib
D11506 Parsaclisib hydrochloride
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Phosphotransferase
PIK3CD
D11506 Parsaclisib hydrochloride (JAN/USAN)
Drug groups [BR:br08330]
Antineoplastic
DG03139 PI3K inhibitor
DG03025 Parsaclisib
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 31
1 N5x N 11.9862 -14.2157
2 C8x C 11.9862 -15.6094
3 N5x N 13.1708 -16.3062
4 C8y C 14.4251 -15.6094
5 C8y C 14.4251 -14.2157
6 C8y C 13.1708 -13.5189
7 N4y N 15.7491 -16.0275
8 N5x N 16.5156 -14.9125
9 C8y C 15.7491 -13.7976
10 C1c C 16.9337 -16.7243
11 C8y C 18.1183 -16.0275
12 C8y C 19.3726 -16.7243
13 C8y C 20.5575 -15.9578
14 C8y C 20.5572 -14.5641
15 C8y C 19.3726 -13.8673
16 C8x C 18.1183 -14.6338
17 C1a C 16.9337 -18.1180
18 N1a N 13.1708 -12.0555
19 C1a C 16.2368 -12.4736
20 X Cl 19.3029 -12.5433
21 X F 21.7418 -13.8673
22 O2a O 19.3029 -18.1180
23 C1y C 21.7425 -16.7215
24 C1x C 21.7425 -18.1221
25 N1x N 23.1015 -18.5382
26 C5x C 23.9128 -17.4288
27 C1x C 23.0461 -16.2916
28 O5x O 25.3203 -17.3594
29 C1b C 20.5572 -18.8148
30 C1a C 20.5575 -20.2781
31 X Cl 25.4100 -20.7200
BOND 33
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 5 9 1
11 7 10 1
12 10 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 11 16 1
19 10 17 1 #Down
20 6 18 1
21 9 19 1
22 15 20 1
23 14 21 1
24 12 22 1
25 23 13 1 #Up
26 23 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 23 27 1
31 26 28 2
32 22 29 1
33 29 30 1
|
|---|