Entry |
|
Name |
Catequentinib hydrochloride (USAN) |
Formula |
C23H22FN3O3. 2HCl
|
Exact mass |
479.1179
|
Mol weight |
480.36
|
Structure |
|
Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
|
Remark |
|
Efficacy |
Antineoplastic, Tyrosine kinase inhibitor |
Target |
|
Pathway |
|
Interaction |
|
Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG03258 Catequentinib
D12537 Catequentinib hydrochloride
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
PDGFR family
PDGFR
D12537 Catequentinib hydrochloride (USAN)
KIT (CD117)
D12537 Catequentinib hydrochloride (USAN)
FGFR family
FGFR
D12537 Catequentinib hydrochloride (USAN)
VEGFR family
VEGFR1 (FLT1)
D12537 Catequentinib hydrochloride (USAN)
VEGFR2 (KDR)
D12537 Catequentinib hydrochloride (USAN)
VEGFR3 (FLT4)
D12537 Catequentinib hydrochloride (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG03258 Catequentinib
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 32
1 C8x C 24.0607 -16.5767
2 C8y C 24.0607 -17.9056
3 C8x C 22.8017 -15.8073
4 C8y C 21.6127 -16.5767
5 C8y C 21.6127 -17.9056
6 C8y C 22.8017 -18.6051
7 O2a O 20.4236 -15.8073
8 C8y C 20.4236 -14.4084
9 C8x C 21.6127 -13.7090
10 C8x C 21.6127 -12.3101
11 N5x N 20.4236 -11.6107
12 C8y C 19.1646 -12.3101
13 C8y C 19.1646 -13.7090
14 C8x C 17.9756 -11.6107
15 C8y C 16.7865 -12.3101
16 C8y C 16.7865 -13.7090
17 C8x C 17.9756 -14.4084
18 O2a O 15.5975 -11.6107
19 C1b C 14.4084 -12.3101
20 C1z C 13.2194 -11.6107
21 O2a O 15.5975 -14.4084
22 C1a C 14.4084 -13.7090
23 N1a N 12.0303 -12.3101
24 C1x C 13.9188 -10.4216
25 C1x C 12.5200 -10.4216
26 X F 20.4236 -18.6051
27 C8x C 23.0815 -20.0739
28 C8y C 24.4804 -20.2138
29 N4x N 25.1098 -18.8848
30 C1a C 25.1798 -21.4728
31 X Cl 13.5800 -21.3500
32 X Cl 13.5800 -20.0200
BOND 34
1 1 2 2
2 1 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 2 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 12 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 13 17 1
20 15 18 1
21 18 19 1
22 19 20 1
23 16 21 1
24 21 22 1
25 20 23 1
26 24 25 1
27 25 20 1
28 20 24 1
29 5 26 1
30 6 27 1
31 27 28 2
32 28 29 1
33 2 29 1
34 28 30 1
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