| Entry |
|
|---|
| Name |
Voclosporin (USAN/INN);
Lupkynis (TN) |
|---|
| Product |
|
|---|
| Formula |
C63H111N11O12
|
|---|
| Exact mass |
1213.8414
|
|---|
| Mol weight |
1214.6219
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Immunosuppressant, Calcineurin inhibitor |
|---|
| Disease |
|
|---|
| Comment |
Cyclosporine [DR: D00184] analog
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04650 | Natural killer cell mediated cytotoxicity |
| hsa04658 | Th1 and Th2 cell differentiation |
| hsa04660 | T cell receptor signaling pathway |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L04 IMMUNOSUPPRESSANTS
L04A IMMUNOSUPPRESSANTS
L04AD Calcineurin inhibitors
L04AD03 Voclosporin
D09033 Voclosporin (USAN/INN) <US>
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Phosphatases
PPP3C/PPP3R/CHP
D09033 Voclosporin (USAN/INN) <US>
New drug approvals in the USA [br08319.html]
New molecular entities and new therapeutic biological products
D09033
New drug approvals in the USA, Europe and Japan [br08328.html]
Approval dates by FDA, EMA and PMDA
D09033
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D09033
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
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| KCF data |
ATOM 86
1 C1c C 28.3500 -15.1200
2 N1c N 27.3000 -15.7500
3 C5a C 29.4700 -15.7500
4 C1c C 28.3500 -13.8600
5 C5a C 26.1800 -15.1200
6 C1a C 27.3000 -17.0100
7 N1b N 30.5900 -15.1200
8 O5a O 29.4700 -17.0100
9 C1c C 29.4700 -13.2300
10 O1a O 27.3000 -13.2300
11 C1c C 25.1300 -15.7500
12 O5a O 26.1800 -13.8600
13 C1c C 31.6400 -15.7500
14 C1a C 30.5900 -13.8600
15 N1c N 24.0100 -15.1200
16 C1c C 25.1300 -17.4300
17 C5a C 32.7600 -15.1200
18 C1b C 31.6400 -17.0100
19 C5a C 22.8900 -15.7500
20 C1a C 24.0100 -13.8600
21 C1a C 24.0800 -18.0600
22 C1a C 26.2500 -18.0600
23 N1c N 33.8100 -15.7500
24 O5a O 32.7600 -13.8600
25 C1c C 21.8400 -15.1200
26 O5a O 22.8900 -17.0100
27 C1b C 33.8100 -17.0100
28 C1a C 34.9300 -15.1200
29 N1c N 20.7200 -15.7500
30 C1b C 21.8400 -13.8600
31 C5a C 34.9300 -17.6400
32 C5a C 20.7200 -19.1100
33 C1a C 19.4600 -15.7500
34 C1c C 20.7200 -13.2300
35 N1c N 34.9300 -19.2500
36 O5a O 36.0500 -17.0100
37 C1c C 19.6700 -20.9300
38 C1a C 20.7200 -11.9700
39 C1a C 19.6700 -13.8600
40 C1c C 34.9300 -22.1900
41 C1a C 36.1900 -19.2500
42 N1c N 19.6700 -22.1900
43 C1b C 18.5500 -20.3000
44 C5a C 33.8100 -22.8200
45 C1b C 36.0500 -22.8200
46 C5a C 20.7200 -22.8200
47 C1a C 18.5500 -22.8200
48 C1c C 17.4300 -20.9300
49 N1b N 32.7600 -22.1900
50 O5a O 33.8100 -24.0800
51 C1c C 37.1000 -22.1900
52 C1c C 21.8400 -22.1900
53 O5a O 20.7200 -24.0800
54 C1a C 16.3800 -20.3000
55 C1c C 31.6400 -22.8200
56 C1a C 38.2200 -22.8200
57 C1a C 37.1000 -20.9300
58 N1b N 22.8900 -22.8200
59 C1a C 21.8400 -21.0000
60 C5a C 30.5900 -22.1900
61 C1c C 31.6400 -24.5000
62 C5a C 24.0100 -22.1900
63 N1c N 29.4700 -22.8200
64 O5a O 30.5900 -20.9300
65 C1a C 30.5200 -25.4100
66 C1a C 32.7600 -25.3400
67 C1c C 25.1300 -22.8200
68 O5a O 24.0100 -20.9300
69 C1c C 28.3500 -22.1900
70 C1a C 29.4700 -24.0800
71 N1b N 26.1800 -22.1900
72 C1a C 25.1300 -24.0800
73 C5a C 27.3000 -22.8200
74 C1b C 28.3500 -19.8800
75 O5a O 27.3000 -24.0800
76 C1c C 29.4700 -19.2500
77 C1a C 29.4700 -17.9900
78 C1a C 30.5900 -19.8800
79 C1a C 32.8300 -17.7100
80 C1a C 17.4300 -22.3300
81 O5a O 21.9100 -19.8100
82 C1b C 29.4700 -11.8300
83 C2b C 30.6600 -11.1300
84 C2b C 31.8500 -11.8300
85 C2b C 33.0400 -11.1300
86 C2a C 34.2581 -11.8201
BOND 86
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 1
9 4 10 1 #Down
10 5 11 1
11 5 12 2
12 7 13 1
13 9 14 1 #Up
14 11 15 1
15 11 16 1 #Down
16 13 17 1
17 13 18 1 #Down
18 15 19 1
19 15 20 1
20 16 21 1
21 16 22 1
22 17 23 1
23 17 24 2
24 19 25 1
25 19 26 2
26 23 27 1
27 23 28 1
28 25 29 1
29 25 30 1 #Up
30 27 31 1
31 29 32 1
32 29 33 1
33 30 34 1
34 31 35 1
35 31 36 2
36 34 38 1
37 34 39 1
38 35 40 1
39 35 41 1
40 37 42 1
41 37 43 1 #Up
42 40 44 1
43 40 45 1 #Up
44 42 46 1
45 42 47 1
46 43 48 1
47 44 49 1
48 44 50 2
49 45 51 1
50 46 52 1
51 46 53 2
52 48 54 1
53 49 55 1
54 51 56 1
55 51 57 1
56 52 58 1
57 52 59 1 #Up
58 55 60 1
59 55 61 1 #Up
60 58 62 1
61 60 63 1
62 60 64 2
63 61 65 1
64 61 66 1
65 62 67 1
66 62 68 2
67 63 69 1
68 63 70 1
69 67 71 1
70 67 72 1 #Up
71 69 73 1
72 69 74 1 #Down
73 73 75 2
74 74 76 1
75 76 77 1
76 76 78 1
77 71 73 1
78 18 79 1
79 48 80 1
80 32 81 2
81 37 32 1
82 9 82 1
83 82 83 1
84 83 84 2
85 84 85 1
86 85 86 2
|
|---|
