| Entry |
|
|---|
| Name |
Tariquidar (USAN/INN) |
|---|
| Formula |
C38H38N4O6
|
|---|
| Exact mass |
646.2791
|
|---|
| Mol weight |
646.7315
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, P-Glycoprotein inhibitor |
|---|
| Comment |
Adjunct to cytotoxic chemotherapies in oncology
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
ATPase
ABCB1 (CD243)
D06008 Tariquidar (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 48
1 C8y C 14.9800 -13.8600
2 C8y C 14.9800 -15.2600
3 C8x C 16.1924 -15.9600
4 C8y C 17.4049 -15.2600
5 C8y C 17.4049 -13.8600
6 C8x C 16.1924 -13.1600
7 C1x C 18.6173 -15.9600
8 N1y N 19.8297 -15.2600
9 C1x C 19.8297 -13.8600
10 C1x C 18.6173 -13.1600
11 O2a O 13.7676 -13.1600
12 C1a C 12.5721 -13.8504
13 O2a O 13.7676 -15.9600
14 C1a C 12.5721 -15.2696
15 C1b C 21.0273 -15.9515
16 C1b C 22.2156 -15.2655
17 C8y C 23.4064 -15.9531
18 C8x C 23.4064 -17.3598
19 C8x C 24.6188 -18.0598
20 C8y C 25.8312 -17.3598
21 C8x C 25.8312 -15.9532
22 C8x C 24.6188 -15.2531
23 N1b N 27.0428 -18.0593
24 C5a C 28.2377 -17.3693
25 C8y C 29.4254 -18.0549
26 O5a O 28.2378 -15.9603
27 C8x C 29.4255 -19.4598
28 C8y C 30.6380 -20.1597
29 C8y C 31.8503 -19.4596
30 C8x C 31.8502 -18.0547
31 C8y C 30.6377 -17.3548
32 O2a O 33.0628 -20.1594
33 N1b N 30.6377 -15.9602
34 C5a C 31.8669 -15.2504
35 C8y C 33.0707 -15.9455
36 O5a O 31.8667 -13.8601
37 C8x C 33.0710 -17.3597
38 N5x N 34.2836 -18.0594
39 C8y C 35.4959 -17.3592
40 C8y C 35.4956 -15.9450
41 C8x C 34.2830 -15.2452
42 C8x C 36.7084 -18.0589
43 C8x C 37.9207 -17.3586
44 C8x C 37.9204 -15.9445
45 C8x C 36.7079 -15.2447
46 O2a O 30.6381 -21.5598
47 C1a C 31.8670 -22.2694
48 C1a C 34.2577 -19.4692
BOND 53
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 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 1 11 1
13 11 12 1
14 2 13 1
15 13 14 1
16 8 15 1
17 15 16 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 20 23 1
26 23 24 1
27 24 25 1
28 24 26 2
29 25 27 2
30 27 28 1
31 28 29 2
32 29 30 1
33 30 31 2
34 25 31 1
35 29 32 1
36 31 33 1
37 33 34 1
38 34 35 1
39 34 36 2
40 35 37 2
41 37 38 1
42 38 39 2
43 39 40 1
44 40 41 2
45 35 41 1
46 39 42 1
47 42 43 2
48 43 44 1
49 44 45 2
50 40 45 1
51 28 46 1
52 46 47 1
53 32 48 1
|
|---|
