| Entry |
|
|---|
| Name |
Ridaforolimus (JAN/USAN/INN);
Deforolimus |
|---|
| Formula |
C53H84NO14P
|
|---|
| Exact mass |
989.5629
|
|---|
| Mol weight |
990.2061
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG01597 mTOR inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, mTOR inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01E PROTEIN KINASE INHIBITORS
L01EG Mammalian target of rapamycin (mTOR) kinase inhibitors
L01EG03 Ridaforolimus
D08900 Ridaforolimus (JAN/USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG01597 mTOR inhibitor
D08900 Ridaforolimus
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
Other
MTOR
D08900 Ridaforolimus (JAN/USAN/INN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 69
1 N1y N 13.1021 -11.6913
2 C1y C 14.2922 -10.9912
3 C5a C 13.1021 -13.0915
4 C1x C 11.8418 -10.9912
5 C7a C 15.4823 -11.6913
6 C1x C 14.2922 -9.5910
7 C5a C 11.8418 -13.7916
8 O5a O 14.2922 -13.7916
9 C1x C 11.8418 -9.5910
10 O7a O 16.6725 -10.9912
11 O6a O 15.4823 -12.8114
12 C1x C 13.1021 -8.8209
13 C1z C 11.8418 -15.1918
14 O5a O 10.6517 -13.0215
15 C1c C 17.9326 -11.6913
16 O2x O 13.0321 -15.8919
17 C1y C 10.5817 -15.8919
18 C1c C 19.1228 -10.9912
19 C1b C 17.9326 -13.0915
20 C1y C 13.0321 -17.2921
21 C1x C 10.5817 -17.2220
22 C1a C 9.3916 -15.1218
23 C1b C 20.3830 -11.6913
24 C1a C 19.1228 -9.5910
25 C5a C 19.1228 -13.7916
26 C1b C 14.2222 -17.9922
27 C1x C 11.8418 -17.9922
28 C1y C 21.5731 -10.9912
29 C1c C 19.1228 -15.1918
30 O5a O 20.3830 -13.0215
31 C1c C 14.2222 -19.3922
32 C1x C 22.7632 -11.6913
33 C1x C 21.5731 -9.5910
34 C2b C 20.3830 -15.8919
35 C1a C 17.9326 -15.8919
36 C2c C 15.4123 -20.0923
37 O2a O 13.0321 -20.0923
38 C1y C 23.8834 -10.9912
39 C1x C 22.7632 -8.8909
40 C2c C 20.3830 -17.2220
41 C2b C 15.4123 -21.4925
42 C1a C 16.6725 -19.3922
43 C1a C 13.0321 -21.4925
44 C1y C 23.8834 -9.5910
45 O2a O 25.1436 -11.6913
46 C1c C 21.5731 -17.9221
47 C1a C 19.1228 -17.9221
48 C2b C 16.6024 -22.1926
49 O2b O 25.1436 -8.8209
50 C1c C 21.5731 -19.3223
51 O1a O 22.7632 -17.2220
52 C2b C 16.6024 -23.5928
53 C5a C 22.7632 -20.0223
54 O2a O 20.3130 -20.0223
55 C2b C 17.8627 -24.2929
56 C1c C 22.7632 -21.4225
57 O5a O 23.8834 -19.3223
58 C1a C 20.3130 -21.4225
59 C2b C 19.0528 -23.5928
60 C1b C 21.2235 -22.1226
61 C1a C 23.8834 -22.1226
62 C1c C 20.4530 -23.5928
63 C1a C 20.8030 -24.9230
64 C1a C 25.1436 -13.0915
65 P1a P 26.5438 -8.8209
66 C1a C 27.9440 -8.8209
67 C1a C 26.5438 -10.2211
68 O3b O 26.5438 -7.4207
69 O1a O 10.6294 -14.3518
BOND 72
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1 #Up
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 1
9 5 10 1
10 5 11 2
11 6 12 1
12 7 13 1
13 7 14 2
14 10 15 1
15 13 16 1 #Down
16 13 17 1
17 15 18 1
18 15 19 1
19 20 16 1 #Down
20 17 21 1
21 17 22 1 #Up
22 18 23 1
23 18 24 1 #Down
24 19 25 1
25 20 26 1
26 20 27 1
27 28 23 1 #Down
28 25 29 1
29 25 30 2
30 26 31 1
31 28 32 1
32 28 33 1
33 29 34 1
34 29 35 1 #Up
35 31 36 1
36 31 37 1 #Up
37 32 38 1
38 33 39 1
39 34 40 2
40 36 41 2
41 36 42 1
42 37 43 1
43 38 44 1
44 38 45 1 #Down
45 40 46 1
46 40 47 1
47 41 48 1
48 44 49 1 #Up
49 46 50 1
50 46 51 1 #Up
51 48 52 2
52 50 53 1
53 50 54 1 #Down
54 52 55 1
55 53 56 1
56 53 57 2
57 54 58 1
58 55 59 2
59 56 60 1
60 56 61 1 #Down
61 59 62 1
62 62 63 1 #Down
63 9 12 1
64 21 27 1
65 39 44 1
66 60 62 1
67 45 64 1
68 49 65 1
69 65 66 1
70 65 67 1
71 65 68 2
72 13 69 1 #Up
|
|---|
