| Entry |
|
|---|
| Name |
Rentosertib (USAN) |
|---|
| Formula |
C27H30FN7O
|
|---|
| Exact mass |
487.2496
|
|---|
| Mol weight |
487.57
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antifibrotic, TNIK inhibitor |
|---|
| Comment |
Treatment of idiopathic pulmonary fibrosis
|
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
STE group
TNIK
D13106 Rentosertib (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 36
1 C1x C 27.2300 -9.9400
2 N1y N 27.2300 -11.3400
3 C1x C 28.4424 -12.0400
4 C1x C 29.6549 -11.3400
5 N1y N 29.6549 -9.9400
6 C1x C 28.4424 -9.2400
7 C1a C 30.8860 -9.2290
8 C8y C 26.0176 -12.0400
9 C8x C 24.8221 -11.3496
10 C8x C 23.6096 -12.0495
11 C8y C 23.6094 -13.4495
12 C8x C 24.8049 -14.1399
13 C8x C 26.0174 -13.4400
14 N1b N 22.3866 -14.1554
15 C5a C 21.1777 -13.4574
16 C8y C 19.9970 -14.1390
17 O5a O 21.1773 -12.0404
18 C8x C 18.6833 -13.7237
19 N5x N 17.8799 -14.8439
20 C8y C 18.6971 -15.9542
21 N4x N 20.0055 -15.5201
22 C8y C 18.2704 -17.2956
23 N4y N 16.9429 -17.7360
24 C8x C 16.9516 -19.1346
25 N5x N 18.2844 -19.5585
26 C8y C 19.0994 -18.4220
27 C1c C 15.7910 -16.9102
28 C1a C 14.5292 -17.4820
29 C1a C 15.9262 -15.5440
30 C8y C 20.5100 -18.4134
31 C8x C 21.2159 -19.6190
32 C8x C 22.6159 -19.6104
33 C8y C 23.3085 -18.3937
34 C8x C 22.6025 -17.1881
35 C8x C 21.2026 -17.1967
36 X F 24.7098 -18.3852
BOND 40
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 5 7 1
8 2 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 11 14 1
16 14 15 1
17 15 16 1
18 15 17 2
19 16 18 2
20 18 19 1
21 19 20 2
22 20 21 1
23 16 21 1
24 20 22 1
25 22 23 1
26 23 24 1
27 24 25 2
28 25 26 1
29 22 26 2
30 23 27 1
31 27 28 1
32 27 29 1
33 26 30 1
34 30 31 2
35 31 32 1
36 32 33 2
37 33 34 1
38 34 35 2
39 30 35 1
40 33 36 1
|
|---|
