| Entry |
|
|---|
| Name |
Temsirolimus (JAN/USAN/INN);
Torisel (TN) |
|---|
| Product |
|
|---|
| Generic |
|
|---|
| Formula |
C56H87NO16
|
|---|
| Exact mass |
1029.6025
|
|---|
| Mol weight |
1030.2871
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG01597 mTOR inhibitor
Metabolizing enzyme substrate
DG02913 CYP3A4 substrate
|
|---|
| Remark |
| Therapeutic category: | 4291 |
|
|---|
| Efficacy |
Antineoplastic, mTOR inhibitor |
|---|
| Disease |
Renal cell carcinoma [DS: H00021] |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07042 | Antineoplastics - agents from natural products |
| map07045 | Antineoplastics - protein kinase inhibitors |
|
|---|
| 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
L01EG01 Temsirolimus
D06068 Temsirolimus (JAN/USAN/INN) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
4 Agents affecting cellular function
42 Antineoplastics
429 Miscellaneous
4291 Other Antitumors
D06068 Temsirolimus (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
Other
MTOR
D06068 Temsirolimus (JAN/USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
New molecular entities and new therapeutic biological products
D06068
New drug approvals in Europe [br08329.html]
European public assessment reports (EPAR) authorised medicine
D06068
New drug approvals in Japan [br08318.html]
Drugs with new active ingredients
D06068
New drug approvals in the USA, Europe and Japan [br08328.html]
Approval dates by FDA, EMA and PMDA
D06068
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D06068
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 73
1 N1y N 25.2563 -25.8222
2 C1y C 26.4455 -25.1227
3 C5a C 25.2563 -27.2213
4 C1x C 23.9971 -25.1227
5 C7a C 27.6347 -25.8222
6 C1x C 26.4455 -23.7236
7 C5a C 23.9971 -27.9209
8 O5a O 26.4455 -27.9209
9 C1x C 23.9971 -23.7236
10 O7a O 28.8239 -25.1227
11 O6a O 27.6347 -26.9415
12 C1x C 25.2563 -22.9541
13 C1z C 23.9971 -29.3199
14 O5a O 22.8079 -27.1514
15 C1c C 30.0831 -25.8222
16 O2x O 25.1863 -30.0194
17 C1y C 22.7379 -30.0194
18 O1a O 23.7172 -30.7190
19 C1c C 31.2724 -25.1227
20 C1b C 30.0831 -27.2213
21 C1y C 25.1863 -31.4186
22 C1x C 22.7379 -31.3486
23 C1a C 21.5487 -29.2499
24 C1b C 32.5315 -25.8222
25 C1a C 31.2724 -23.7236
26 C5a C 31.2724 -27.9209
27 C1b C 26.3755 -32.1181
28 C1x C 23.9971 -32.1181
29 C1y C 33.7208 -25.1227
30 C1c C 31.2724 -29.3199
31 O5a O 32.5315 -27.1514
32 C1c C 26.3755 -33.5172
33 C1x C 34.9100 -25.8222
34 C1x C 33.7208 -23.7236
35 C2b C 32.5315 -30.0194
36 C1a C 30.0831 -30.0194
37 C2c C 27.5647 -34.2167
38 O2a O 25.1863 -34.2167
39 C1y C 36.0992 -25.1227
40 C1x C 34.9100 -23.0240
41 C2c C 32.5315 -31.3486
42 C2b C 27.5647 -35.6159
43 C1a C 28.8239 -33.5172
44 C1a C 25.1863 -35.6159
45 C1y C 36.0992 -23.7236
46 O2a O 37.3584 -25.8222
47 C1c C 33.7208 -32.0481
48 C1a C 31.2724 -32.0481
49 C2b C 28.7540 -36.3154
50 O7a O 37.3584 -22.9541
51 C1c C 33.7208 -33.4472
52 O1a O 34.9100 -31.3486
53 C2b C 28.7540 -37.7144
54 C5a C 34.9100 -34.1468
55 O2a O 32.4616 -34.1468
56 C2b C 30.0132 -38.4140
57 C1c C 34.9100 -35.5459
58 O5a O 36.0992 -33.4472
59 C1a C 32.4616 -35.5459
60 C2b C 31.2024 -37.7144
61 C1b C 33.7208 -36.2454
62 C1a C 36.0992 -36.2454
63 C1c C 32.6015 -37.7144
64 C1a C 32.9513 -39.0436
65 C7a C 38.6070 -23.6341
66 C1d C 39.8135 -22.8965
67 C1a C 37.3584 -27.2222
68 O6a O 38.6421 -25.0600
69 C1b C 41.0531 -23.5713
70 C1b C 39.7781 -21.4910
71 C1a C 41.0228 -21.8771
72 O1a O 42.2151 -22.8609
73 O1a O 40.9597 -20.7684
BOND 76
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 13 18 1 #Up
18 15 19 1
19 15 20 1
20 21 16 1 #Down
21 17 22 1
22 17 23 1 #Up
23 19 24 1
24 19 25 1 #Down
25 20 26 1
26 21 27 1
27 21 28 1
28 29 24 1 #Down
29 26 30 1
30 26 31 2
31 27 32 1
32 29 33 1
33 29 34 1
34 30 35 1
35 30 36 1 #Up
36 32 37 1
37 32 38 1 #Up
38 33 39 1
39 34 40 1
40 35 41 2
41 37 42 2
42 37 43 1
43 38 44 1
44 39 45 1
45 39 46 1 #Down
46 41 47 1
47 41 48 1
48 42 49 1
49 45 50 1 #Up
50 47 51 1
51 47 52 1 #Up
52 49 53 2
53 51 54 1
54 51 55 1 #Down
55 53 56 1
56 54 57 1
57 54 58 2
58 55 59 1
59 56 60 2
60 57 61 1
61 57 62 1 #Down
62 60 63 1
63 63 64 1 #Down
64 9 12 1
65 22 28 1
66 40 45 1
67 61 63 1
68 50 65 1
69 65 66 1
70 46 67 1
71 65 68 2
72 66 69 1
73 66 70 1
74 66 71 1
75 69 72 1
76 70 73 1
|
|---|
