| Entry |
|
|---|
| Name |
Dalcetrapib (USAN/INN) |
|---|
| Formula |
C23H35NO2S
|
|---|
| Exact mass |
389.2389
|
|---|
| Mol weight |
389.60
|
|---|
| Structure |
|
|---|
| Efficacy |
Anti-atherosclerotic, Cholesteryl ester transfer protein inhibitor |
|---|
| Comment |
Preventing cardiovascular events in CHD patients and slowing progression of atherosclerosis
|
|---|
| Target |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Transporters
Other transporters
Channels and pores (TC:1)
CETP
D09708 Dalcetrapib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 27
1 C1a C 8.3300 -20.6500
2 C1c C 9.5200 -21.3500
3 C5a C 10.7100 -20.6500
4 S2a S 11.9000 -21.3500
5 C8y C 11.9000 -22.7500
6 C8x C 10.7100 -23.4500
7 C8x C 10.7100 -24.8500
8 C8x C 11.9000 -25.5500
9 C8x C 13.1600 -24.8500
10 C8y C 13.1600 -23.4500
11 O5a O 10.7100 -19.2500
12 C1a C 9.5200 -22.7500
13 N1b N 14.3500 -22.7500
14 C5a C 15.5400 -23.4500
15 C1z C 16.7300 -22.7500
16 O5a O 15.5400 -24.8500
17 C1b C 17.9200 -23.4500
18 C1c C 19.1100 -22.7500
19 C1b C 20.3000 -23.4500
20 C1b C 19.1100 -21.3500
21 C1a C 20.3000 -20.6500
22 C1a C 21.4900 -22.7500
23 C1x C 15.5400 -20.6500
24 C1x C 15.5400 -22.0500
25 C1x C 17.9900 -22.0500
26 C1x C 17.9900 -20.6500
27 C1x C 16.7300 -19.9500
BOND 28
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 2
7 7 8 1
8 8 9 2
9 9 10 1
10 5 10 2
11 3 11 2
12 2 12 1
13 10 13 1
14 13 14 1
15 14 15 1
16 14 16 2
17 15 17 1
18 17 18 1
19 18 19 1
20 18 20 1
21 20 21 1
22 19 22 1
23 23 24 1
24 24 15 1
25 15 25 1
26 25 26 1
27 26 27 1
28 23 27 1
|
|---|
