| Entry |
|
|---|
| Name |
Inobrodib (USAN) |
|---|
| Formula |
C30H32F2N4O3
|
|---|
| Exact mass |
534.2442
|
|---|
| Mol weight |
534.60
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, Transcriptional co-factors inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Acyltransferases
CREBBP/EP300
D12394 Inobrodib (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 39
1 C8y C 10.0100 -17.7100
2 C8x C 10.0100 -16.3100
3 C8x C 11.2000 -15.6100
4 C8y C 12.4600 -16.3100
5 C8y C 12.4600 -17.7100
6 C8x C 11.2000 -18.4100
7 N4y N 13.7900 -15.8900
8 C8y C 14.5600 -17.0100
9 N5x N 13.7900 -18.1300
10 C8y C 8.8200 -18.4100
11 C8y C 8.6800 -19.8100
12 N5x N 7.2800 -20.0900
13 O2x O 6.5800 -18.9000
14 C8y C 7.4900 -17.8500
15 C1a C 9.7300 -20.7900
16 C1a C 7.2100 -16.4500
17 C1y C 15.9600 -17.0100
18 C1x C 16.6600 -15.8200
19 C1x C 18.0600 -15.8200
20 C1x C 18.7600 -17.0100
21 C5x C 18.0600 -18.2000
22 N1y N 16.6600 -18.2000
23 C8y C 15.9600 -19.3900
24 C8x C 16.6600 -20.5800
25 C8x C 15.9600 -21.8400
26 C8y C 14.5600 -21.8400
27 C8y C 13.8600 -20.6500
28 C8x C 14.5600 -19.3900
29 X F 13.8600 -23.0300
30 X F 12.4600 -20.6500
31 O5x O 18.7600 -19.3900
32 C1y C 14.2100 -14.5600
33 C1x C 13.3000 -13.5100
34 C1x C 13.7200 -12.1800
35 C1y C 15.0500 -11.9000
36 C1x C 16.0300 -12.9500
37 C1x C 15.5400 -14.2800
38 O2a O 15.4700 -10.5700
39 C1a C 16.8700 -10.2900
BOND 44
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 7 8 1
9 8 9 2
10 5 9 1
11 1 10 1
12 10 11 1
13 11 12 2
14 12 13 1
15 13 14 1
16 10 14 2
17 11 15 1
18 14 16 1
19 17 8 1
20 17 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 17 22 1
26 22 23 1
27 23 24 2
28 24 25 1
29 25 26 2
30 26 27 1
31 27 28 2
32 23 28 1
33 26 29 1
34 27 30 1
35 21 31 2
36 32 7 1
37 32 33 1
38 33 34 1
39 34 35 1
40 35 36 1
41 36 37 1
42 32 37 1
43 35 38 1 #Up
44 38 39 1
|
|---|
