| Entry |
|
|---|
| Name |
Luminespib (USAN/INN) |
|---|
| Formula |
C26H31N3O5
|
|---|
| Exact mass |
465.2264
|
|---|
| Mol weight |
465.5414
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Hsp 90 inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Not elsewhere classified
Signaling molecules
Chaperone and folding catalyst
HSP90
D10646 Luminespib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 34
1 C8y C 18.7600 -20.3000
2 C8y C 18.7600 -21.7000
3 C8x C 19.9500 -22.4000
4 C8y C 21.2100 -21.7000
5 C8y C 21.2100 -20.3000
6 C8x C 19.9500 -19.6000
7 C1c C 17.5700 -19.6000
8 C1a C 17.5700 -18.2000
9 C1a C 16.3100 -20.3000
10 O1a O 17.5700 -22.4000
11 O1a O 22.4000 -22.4000
12 C8y C 22.2600 -19.6700
13 O2x O 23.5200 -20.2300
14 N5x N 24.5000 -19.1800
15 C8y C 23.8000 -17.9900
16 C8y C 22.4000 -18.2700
17 C8y C 21.2100 -17.5000
18 C8x C 21.2100 -16.1000
19 C8x C 20.0900 -15.3300
20 C8y C 18.8300 -16.0300
21 C8x C 18.7600 -17.4300
22 C8x C 19.9500 -18.1300
23 C1x C 18.9000 -13.3000
24 N1y N 17.6400 -13.9300
25 C1b C 17.6400 -15.2600
26 C1x C 18.9000 -11.9000
27 O2x O 17.7800 -11.1300
28 C1x C 16.5200 -11.7600
29 C1x C 16.5200 -13.1600
30 C5a C 24.2900 -16.8000
31 O5a O 25.6900 -16.8000
32 N1b N 23.5900 -15.5400
33 C1b C 24.2900 -14.3500
34 C1a C 23.5900 -13.1600
BOND 37
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 1 7 1
8 7 8 1
9 7 9 1
10 2 10 1
11 4 11 1
12 5 12 1
13 12 13 1
14 14 15 2
15 15 16 1
16 12 16 2
17 13 14 1
18 16 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 17 22 1
25 23 24 1
26 24 25 1
27 20 25 1
28 23 26 1
29 26 27 1
30 27 28 1
31 28 29 1
32 24 29 1
33 15 30 1
34 30 31 2
35 30 32 1
36 32 33 1
37 33 34 1
|
|---|
