Entry |
|
Name |
Ilorasertib (USAN/INN) |
Formula |
C25H21FN6O2S
|
Exact mass |
488.1431
|
Mol weight |
488.5366
|
Structure |
|
Efficacy |
Antineoplastic, Aurora kinase (serine/threonine kinase) inhibitor |
Target |
|
Pathway |
|
Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
AGC group
AURK
D10423 Ilorasertib (USAN/INN)
Receptor tyrosine kinases (RTK)
PDGFR family
PDGFR
D10423 Ilorasertib (USAN/INN)
VEGFR family
VEGFR1 (FLT1)
D10423 Ilorasertib (USAN/INN)
Non-receptor tyrosine kinases
SRC family
SRC
D10423 Ilorasertib (USAN/INN)
|
Other DBs |
|
KCF data |
ATOM 35
1 C8x C 25.2000 -20.5100
2 C8y C 25.2000 -21.9100
3 C8x C 26.3900 -22.6100
4 C8y C 27.6500 -21.9100
5 C8x C 27.6500 -20.5100
6 C8x C 26.3900 -19.8100
7 X F 28.8400 -22.6100
8 N1b N 24.0100 -22.6100
9 C5a C 22.8200 -21.9100
10 N1b N 21.6300 -22.6100
11 C8y C 20.4400 -21.9100
12 O5a O 22.8200 -20.5100
13 C8x C 20.4400 -20.5100
14 C8x C 19.1800 -19.8100
15 C8y C 17.9900 -20.5100
16 C8x C 17.9900 -21.9100
17 C8x C 19.1800 -22.6100
18 C8y C 16.8000 -19.8100
19 C8y C 13.3000 -20.7200
20 C8x C 13.3000 -22.1200
21 N5x N 14.4900 -22.8200
22 C8y C 15.7500 -22.1200
23 C8y C 15.7500 -20.7200
24 C8y C 14.4900 -20.0200
25 C8x C 16.1700 -18.4800
26 S2x S 14.7700 -18.6200
27 N1a N 16.9400 -22.8200
28 N4y N 10.7800 -18.2000
29 C8x C 11.1300 -19.6000
30 C8y C 12.5300 -19.6000
31 C8x C 13.0200 -18.2700
32 N5x N 11.9700 -17.4300
33 C1b C 9.5900 -17.5000
34 C1b C 8.4000 -18.2000
35 O1a O 7.2100 -17.5000
BOND 39
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 4 7 1
8 2 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 9 12 2
13 11 13 2
14 13 14 1
15 14 15 2
16 15 16 1
17 16 17 2
18 11 17 1
19 15 18 1
20 19 20 2
21 20 21 1
22 21 22 2
23 22 23 1
24 23 24 2
25 19 24 1
26 23 18 1
27 25 26 1
28 24 26 1
29 22 27 1
30 25 18 2
31 28 29 1
32 29 30 2
33 30 31 1
34 31 32 2
35 28 32 1
36 30 19 1
37 33 28 1
38 33 34 1
39 34 35 1
|