| Entry |
|
|---|
| Name |
Ribociclib (USAN/INN) |
|---|
| Formula |
C23H30N8O
|
|---|
| Exact mass |
434.2543
|
|---|
| Mol weight |
434.54
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG03138 CDK inhibitor
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
|---|
| Remark |
| Product (DG02084): | D10979<US> |
| Product (mixture): | D11068<US> |
|
|---|
| Efficacy |
Antineoplastic, Cyclin-dependent kinase (CDK) inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
|
|---|
| 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
L01EF02 Ribociclib
D10883 Ribociclib (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG03138 CDK inhibitor
DG02084 Ribociclib
D10883 Ribociclib
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG02084 Ribociclib
D10883 Ribociclib
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
CMGC group
CDK4/6
D10883 Ribociclib (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10883
Drug groups [BR:br08330]
Antineoplastic
DG03138 CDK inhibitor
DG02084 Ribociclib
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG02084 Ribociclib
|
|---|
| Other DBs |
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| LinkDB |
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|---|
| KCF data |
ATOM 32
1 N5x N 10.7100 -11.4800
2 C8y C 10.7100 -12.8800
3 N5x N 9.5200 -13.5800
4 C8y C 8.2600 -12.8800
5 C8y C 8.2600 -11.4800
6 C8x C 9.5200 -10.7800
7 N4y N 6.9300 -13.3000
8 C8y C 6.1600 -12.1800
9 C8x C 6.9300 -11.0600
10 N1b N 11.9000 -13.5800
11 C8y C 13.0900 -12.8800
12 C8x C 13.0900 -11.4800
13 C8x C 14.3500 -10.7800
14 C8y C 15.5400 -11.4800
15 C8x C 15.5400 -12.8800
16 N5x N 14.3500 -13.5800
17 N1y N 16.7300 -10.7800
18 C1x C 16.7300 -9.3800
19 C1x C 17.9900 -8.6800
20 N1x N 19.1800 -9.3800
21 C1x C 19.1800 -10.7800
22 C1x C 17.9900 -11.4800
23 C5a C 4.7600 -12.1800
24 C1y C 6.5100 -14.6300
25 C1x C 7.3500 -15.7500
26 C1x C 6.5100 -16.8700
27 C1x C 5.1800 -16.4500
28 C1x C 5.1800 -15.0500
29 O5a O 4.0600 -13.3700
30 N1c N 4.0600 -10.9900
31 C1a C 2.6600 -10.9900
32 C1a C 4.7600 -9.8000
BOND 36
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 2 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 14 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 17 22 1
26 8 23 1
27 7 24 1
28 24 25 1
29 25 26 1
30 26 27 1
31 27 28 1
32 24 28 1
33 23 29 2
34 23 30 1
35 30 31 1
36 30 32 1
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