| Entry |
|
|---|
| Name |
Palbociclib isethionate (USAN) |
|---|
| Formula |
C24H29N7O2. C2H6O4S
|
|---|
| Exact mass |
573.237
|
|---|
| Mol weight |
573.6644
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG03138 CDK inhibitor
|
|---|
| Remark |
| Product (DG01831): | D10372<JP/US> |
|
|---|
| Efficacy |
Antineoplastic, Cyclin-dependent kinase (CDK) inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01E PROTEIN KINASE INHIBITORS
L01EF Cyclin-dependent kinase (CDK) inhibitors
L01EF01 Palbociclib
D10652 Palbociclib isethionate (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG03138 CDK inhibitor
DG01831 Palbociclib
D10652 Palbociclib isethionate
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
CMGC group
CDK4/6
D10652 Palbociclib isethionate (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG03138 CDK inhibitor
DG01831 Palbociclib
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 40
1 C1x C 21.9916 -16.6887
2 N1x N 21.9916 -15.2920
3 C1x C 20.7346 -14.5937
4 C1x C 19.5474 -15.2920
5 N1y N 19.5474 -16.6887
6 C1x C 20.7346 -17.3870
7 C8y C 18.2904 -17.4568
8 C8x C 17.1033 -16.7585
9 C8x C 15.9161 -17.4568
10 C8y C 15.9161 -18.8535
11 N5x N 17.1033 -19.5518
12 C8x C 18.2904 -18.8535
13 N1b N 14.6592 -19.5518
14 C8y C 13.4720 -18.8535
15 N5x N 13.4720 -17.3870
16 C8y C 12.2848 -16.6887
17 C8y C 11.0279 -17.3870
18 C8x C 11.0279 -18.8535
19 N5x N 12.2848 -19.5518
20 N4y N 12.2848 -15.2920
21 C8y C 11.0279 -14.5937
22 C8y C 9.8407 -15.2920
23 C8y C 9.8407 -16.6887
24 C1y C 13.4720 -14.5937
25 C5a C 8.6535 -14.5937
26 C1a C 7.4664 -15.2920
27 O5a O 8.6535 -13.1970
28 O5x O 11.0279 -13.1970
29 C1a C 8.6535 -17.3870
30 C1x C 14.7988 -15.0127
31 C1x C 15.6368 -13.8953
32 C1x C 14.7988 -12.7780
33 C1x C 13.4720 -13.1970
34 C1b C 26.9497 -17.1775
35 S4a S 28.3463 -17.1775
36 O1d O 28.3463 -15.7808
37 O1d O 29.7430 -17.1775
38 O1d O 28.3463 -18.5741
39 C1b C 26.2514 -15.9903
40 O1a O 24.8547 -15.9903
BOND 43
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 5 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 7 12 1
14 10 13 1
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 14 19 1
22 16 20 1
23 20 21 1
24 21 22 1
25 22 23 2
26 17 23 1
27 20 24 1
28 22 25 1
29 25 26 1
30 25 27 2
31 21 28 2
32 23 29 1
33 24 30 1
34 30 31 1
35 31 32 1
36 32 33 1
37 24 33 1
38 34 35 1
39 35 36 1
40 35 37 2
41 35 38 2
42 34 39 1
43 39 40 1
|
|---|
