| Entry |
|
|---|
| Name |
Onalespib (USAN/INN) |
|---|
| Formula |
C24H31N3O3
|
|---|
| Exact mass |
409.2365
|
|---|
| Mol weight |
409.5212
|
|---|
| Structure |
|
|---|
| 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
D10719 Onalespib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 C8y C 17.3382 -21.4722
2 C8y C 17.3382 -22.8758
3 C8x C 18.5313 -23.5776
4 C8y C 19.7945 -22.8758
5 C8y C 19.7945 -21.4722
6 C8x C 18.5313 -20.7704
7 C1c C 16.1452 -20.7704
8 C1a C 16.1452 -19.3668
9 C1a C 14.8819 -21.4722
10 O1a O 16.1452 -23.5776
11 O1a O 20.9876 -23.5776
12 C5a C 21.0070 -20.7722
13 O5a O 21.0070 -19.3722
14 N1y N 22.2194 -21.4722
15 C1x C 22.3675 -22.8787
16 C8y C 23.7510 -23.1724
17 C8y C 24.4579 -21.9475
18 C1x C 23.5113 -20.8966
19 C8x C 24.4513 -24.3847
20 C8x C 25.8513 -24.3844
21 C8y C 26.5582 -23.1594
22 C8x C 25.8579 -21.9471
23 C1b C 27.9582 -23.1594
24 N1y N 28.6582 -24.3718
25 C1x C 27.9565 -25.5874
26 C1x C 28.6566 -26.7998
27 N1y N 30.0566 -26.7997
28 C1x C 30.7583 -25.5842
29 C1x C 30.0582 -24.3718
30 C1a C 30.7567 -28.0121
BOND 33
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 2
14 12 14 1
15 14 15 1
16 15 16 1
17 16 17 2
18 17 18 1
19 14 18 1
20 16 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 17 22 1
25 21 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 28 29 1
32 24 29 1
33 27 30 1
|
|---|
