Entry |
|
Name |
Afatinib (USAN/INN) |
Formula |
C24H25ClFN5O3
|
Exact mass |
485.163
|
Mol weight |
485.9384
|
Structure |
|
Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03162 EGFR inhibitor
Transporter substrate
DG01665 ABCB1 substrate
|
Remark |
Product (DG00717): | D09733<JP/US> |
|
Efficacy |
Antineoplastic, Receptor tyrosine kinase inhibitor |
Target |
|
Pathway |
|
Metabolism |
Transporter: ABCB1 [HSA: 5243]
|
Interaction |
|
Structure map |
map07045 | Antineoplastics - protein kinase inhibitors |
|
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
L01EB03 Afatinib
D09724 Afatinib (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03162 EGFR inhibitor
DG00717 Afatinib
D09724 Afatinib
Transporter substrate
DG01665 ABCB1 substrate
DG00717 Afatinib
D09724 Afatinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
EGFR family
EGFR
D09724 Afatinib (USAN/INN)
ERBB2 (HER2, CD340)
D09724 Afatinib (USAN/INN)
ERBB4 (HER4)
D09724 Afatinib (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug transporters
D09724
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03162 EGFR inhibitor
DG00717 Afatinib
Transporter substrate
DG01665 ABCB1 substrate
DG00717 Afatinib
|
Other DBs |
|
KCF data |
ATOM 34
1 C8x C 9.5325 -10.7238
2 N5x N 9.5325 -12.1252
3 C8y C 10.7938 -12.8260
4 C8y C 11.9851 -12.1252
5 C8y C 11.9851 -10.7238
6 N5x N 10.7938 -10.0230
7 C8x C 13.1763 -12.8260
8 C8y C 14.3676 -12.1252
9 C8y C 14.3676 -10.7238
10 C8x C 13.1763 -10.0230
11 N1b N 10.7938 -14.2274
12 C8y C 11.9851 -14.9281
13 C8x C 11.9851 -16.2595
14 C8y C 13.1763 -16.9603
15 C8y C 14.3676 -16.2595
16 C8x C 14.3676 -14.9281
17 C8x C 13.1763 -14.2274
18 X F 15.6289 -16.9603
19 X Cl 13.1763 -18.4318
20 N1b N 15.5631 -12.8089
21 C5a C 16.7548 -12.1141
22 C2b C 17.9496 -12.7974
23 O5a O 16.7490 -10.7101
24 C2b C 19.1315 -12.1084
25 C1b C 20.3312 -12.7946
26 N1c N 21.5107 -12.1071
27 C1a C 22.7116 -12.7940
28 C1a C 21.5050 -10.7101
29 O2a O 15.5753 -10.0328
30 C1y C 15.5753 -8.6328
31 C1x C 16.7415 -7.7855
32 C1x C 16.2960 -6.4146
33 O2x O 14.8545 -6.4147
34 C1x C 14.4091 -7.7856
BOND 37
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 2
7 4 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 2
12 3 11 1
13 11 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 12 17 1
20 15 18 1
21 14 19 1
22 8 20 1
23 20 21 1
24 21 22 1
25 21 23 2
26 22 24 2
27 24 25 1
28 25 26 1
29 26 27 1
30 26 28 1
31 9 29 1
32 30 29 1 #Down
33 30 31 1
34 31 32 1
35 32 33 1
36 33 34 1
37 30 34 1
|