| Entry |
|
|---|
| Name |
Dacomitinib (INN) |
|---|
| Formula |
C24H25ClFN5O2
|
|---|
| Exact mass |
469.1681
|
|---|
| Mol weight |
469.94
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03162 EGFR inhibitor
Metabolizing enzyme inhibitor
DG01645 CYP2D6 inhibitor
|
|---|
| Remark |
| Product (DG01793): | D10514<JP/US> |
|
|---|
| Efficacy |
Antineoplastic, Receptor tyrosine kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
CYP inhibition: CYP2D6 [HSA: 1565]
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01E PROTEIN KINASE INHIBITORS
L01EB Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors
L01EB07 Dacomitinib
D09883 Dacomitinib (INN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03162 EGFR inhibitor
DG01793 Dacomitinib
D09883 Dacomitinib
Metabolizing enzyme inhibitor
DG01645 CYP2D6 inhibitor
DG01793 Dacomitinib
D09883 Dacomitinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
EGFR family
EGFR
D09883 Dacomitinib (INN)
ERBB2 (HER2, CD340)
D09883 Dacomitinib (INN)
ERBB4 (HER4)
D09883 Dacomitinib (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D09883
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03162 EGFR inhibitor
DG01793 Dacomitinib
Metabolizing enzyme inhibitor
DG01645 CYP2D6 inhibitor
DG01793 Dacomitinib
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 33
1 C8y C 17.0832 -13.4464
2 C8y C 17.0832 -14.8467
3 C8x C 15.8930 -15.5469
4 C8y C 14.7027 -14.8467
5 C8y C 14.7027 -13.4464
6 C8x C 15.8930 -12.7463
7 C8y C 13.4424 -15.5469
8 N5x N 12.2522 -14.8467
9 C8x C 12.2522 -13.4464
10 N5x N 13.4424 -12.7463
11 N1b N 18.3435 -15.5469
12 O2a O 18.3435 -12.7463
13 N1b N 13.4424 -16.9472
14 C1a C 18.3293 -11.3400
15 C5a C 19.5505 -14.8367
16 C2b C 20.7545 -15.5188
17 O5a O 19.5390 -13.4400
18 C2b C 21.9263 -14.8294
19 C1b C 23.1364 -15.5152
20 N1y N 24.3566 -14.7971
21 C1x C 25.5657 -15.4815
22 C1x C 26.7722 -14.7712
23 C1x C 26.7603 -13.3713
24 C1x C 25.5512 -12.6868
25 C1x C 24.3447 -13.3971
26 C8y C 14.6528 -17.6394
27 C8x C 14.6585 -19.0397
28 C8y C 15.8738 -19.7348
29 C8y C 17.0834 -19.0298
30 C8x C 17.0776 -17.6295
31 C8x C 15.8624 -16.9344
32 X Cl 15.8795 -21.1400
33 X F 18.3005 -19.7259
BOND 36
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 2 11 1
13 1 12 1
14 7 13 1
15 12 14 1
16 11 15 1
17 15 16 1
18 15 17 2
19 16 18 2
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 24 25 1
27 20 25 1
28 13 26 1
29 26 27 2
30 27 28 1
31 28 29 2
32 29 30 1
33 30 31 2
34 26 31 1
35 28 32 1
36 29 33 1
|
|---|