| Entry |
|
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| Name |
Erlotinib (INN) |
|---|
| Formula |
C22H23N3O4
|
|---|
| Exact mass |
393.1689
|
|---|
| Mol weight |
393.43
|
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| Structure |
|
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| Simcomp |
|
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| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03162 EGFR inhibitor
Metabolizing enzyme substrate
DG01892 CYP1A2 substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
|---|
| Remark |
| Product (DG00711): | D04023<JP/US> |
|
|---|
| Efficacy |
Antineoplastic, Receptor tyrosine kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576], CYP1A2 [HSA: 1544]
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07045 | Antineoplastics - protein kinase inhibitors |
|
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| Other map |
| map01521 | EGFR tyrosine kinase inhibitor resistance |
|
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| 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
L01EB02 Erlotinib
D07907 Erlotinib (INN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03162 EGFR inhibitor
DG00711 Erlotinib
D07907 Erlotinib
Metabolizing enzyme substrate
DG01892 CYP1A2 substrate
DG00711 Erlotinib
D07907 Erlotinib
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00711 Erlotinib
D07907 Erlotinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
EGFR family
EGFR
D07907 Erlotinib (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D07907
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG01917 Receptor tyrosine kinase inhibitor
DG03162 EGFR inhibitor
DG00711 Erlotinib
Metabolizing enzyme substrate
DG01892 CYP1A2 substrate
DG00711 Erlotinib
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00711 Erlotinib
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 29
1 C8x C 13.1858 -13.0551
2 N5x N 13.1858 -14.4518
3 C8y C 14.5127 -15.1501
4 C8y C 15.6999 -14.4518
5 C8y C 15.6999 -13.0551
6 N5x N 14.5127 -12.3568
7 C8x C 16.8871 -15.1501
8 C8y C 18.0743 -14.4518
9 C8y C 18.0743 -13.0551
10 C8x C 16.8871 -12.3568
11 N1b N 14.5127 -16.4770
12 C8y C 15.6999 -17.1754
13 C8x C 15.6999 -18.5720
14 C8y C 16.8871 -19.3402
15 C8x C 18.0743 -18.5720
16 C8x C 18.0743 -17.1754
17 C8x C 16.8871 -16.4770
18 O2a O 19.2615 -12.3568
19 C1b C 20.5185 -13.0551
20 C1b C 21.7057 -12.3568
21 O2a O 22.8929 -13.0551
22 C1a C 24.1499 -12.3568
23 O2a O 19.2615 -15.1501
24 C1b C 20.5185 -14.4518
25 C1b C 21.7057 -15.1501
26 O2a O 22.8929 -14.4518
27 C1a C 24.1499 -15.1501
28 C3b C 16.8868 -20.7199
29 C3a C 16.8868 -22.1199
BOND 31
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 9 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 8 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 14 28 1
31 28 29 3
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