| Entry |
|
|---|
| Name |
Asciminib (USAN/INN) |
|---|
| Formula |
C20H18ClF2N5O3
|
|---|
| Exact mass |
449.1066
|
|---|
| Mol weight |
449.8384
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
|
|---|
| Remark |
| Product (DG03004): | D11404<JP/US> |
|
|---|
| Efficacy |
Antineoplastic, Tyrosine kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576], UGT2B7 [HSA: 7364], UGT2B17 [HSA: 7367]
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01E PROTEIN KINASE INHIBITORS
L01EA BCR-ABL tyrosine kinase inhibitors
L01EA06 Asciminib
D11403 Asciminib (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG03161 BCR-ABL inhibitor
DG03004 Asciminib
D11403 Asciminib
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG03004 Asciminib
D11403 Asciminib
DG02924 UGT substrate
DG03190 UGT2B7 substrate
DG03004 Asciminib
D11403 Asciminib
DG03181 UGT2B17 substrate
DG03004 Asciminib
D11403 Asciminib
Target-based classification of drugs [BR:br08310]
Protein kinases
Non-receptor tyrosine kinases
ABL family
BCR-ABL [HSA_VAR:25v1]
D11403 Asciminib (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D11403
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG03161 BCR-ABL inhibitor
DG03004 Asciminib
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG03004 Asciminib
DG02924 UGT substrate
DG03190 UGT2B7 substrate
DG03004 Asciminib
DG03181 UGT2B17 substrate
DG03004 Asciminib
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 31
1 C8y C 14.9605 -15.3802
2 C8y C 14.9605 -16.7857
3 C8x C 16.1776 -17.4884
4 C8y C 17.3948 -16.7857
5 C8x C 17.3948 -15.3802
6 N5x N 16.1776 -14.6775
7 N1y N 13.7435 -14.6744
8 C1x C 13.7935 -13.2723
9 C1x C 12.4756 -12.7914
10 C1y C 11.6111 -13.8962
11 C1x C 12.3946 -15.0600
12 C8y C 13.7435 -17.4915
13 N5x N 12.4121 -17.1107
14 N4x N 11.6385 -18.2593
15 C8x C 12.4918 -19.3500
16 C8x C 13.7927 -18.8755
17 O1a O 10.2029 -13.8460
18 C5a C 18.6307 -17.4994
19 N1b N 19.8406 -16.8010
20 O5a O 18.6304 -18.8937
21 C8y C 21.0275 -17.4865
22 C8x C 21.0274 -18.8936
23 C8x C 22.2445 -19.5965
24 C8y C 23.4618 -18.8938
25 C8x C 23.4619 -17.4867
26 C8x C 22.2447 -16.7838
27 O2a O 24.6801 -19.5975
28 C1d C 25.8811 -18.9040
29 X Cl 27.0726 -19.5919
30 X F 26.5838 -17.6869
31 X F 25.1783 -17.6869
BOND 34
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 1 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 7 11 1
13 2 12 1
14 12 13 2
15 13 14 1
16 14 15 1
17 15 16 2
18 12 16 1
19 10 17 1 #Down
20 4 18 1
21 18 19 1
22 18 20 2
23 19 21 1
24 21 22 2
25 22 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 21 26 1
30 24 27 1
31 27 28 1
32 28 29 1
33 28 30 1
34 28 31 1
|
|---|
