| Entry |
|
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| Name |
Cangrelor tetrasodium (USAN);
Kengreal (TN) |
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| Product |
|
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| Formula |
C17H21Cl2F3N5O12P3S2. 4Na
|
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| Exact mass |
862.8761
|
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| Mol weight |
864.2865
|
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| Structure |
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| Simcomp |
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| Class |
Blood modifier agent
DG01950 Antithrombotic agent
DG01712 Antiplatelet agent
DG01809 P2Y12 receptor antagonist
|
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| Remark |
| Product (DG01294): | D03361<US> |
|
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| Efficacy |
Platelet aggregation inhibitor, Purinergic receptor P2Y12 antagonist |
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| Disease |
Myocardial infarction [DS: H01730] |
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| Target |
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| Pathway |
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| Interaction |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
B BLOOD AND BLOOD FORMING ORGANS
B01 ANTITHROMBOTIC AGENTS
B01A ANTITHROMBOTIC AGENTS
B01AC Platelet aggregation inhibitors excl. heparin
B01AC25 Cangrelor
D03361 Cangrelor tetrasodium (USAN) <US>
Drug groups [BR:br08330]
Blood modifier agent
DG01950 Antithrombotic agent
DG01712 Antiplatelet agent
DG01294 Cangrelor
D03361 Cangrelor tetrasodium
DG01809 P2Y12 receptor antagonist
DG01294 Cangrelor
D03361 Cangrelor tetrasodium
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Purine / pyrimidine
P2RY12
D03361 Cangrelor tetrasodium (USAN) <US>
Drug groups [BR:br08330]
Blood modifier agent
DG01950 Antithrombotic agent
DG01712 Antiplatelet agent
DG01294 Cangrelor
DG01809 P2Y12 receptor antagonist
DG01294 Cangrelor
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| Other DBs |
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| KCF data |
ATOM 48
1 Z Na 24.2900 -23.1000 #+
2 C8y C 12.3200 -22.2600
3 N5x N 12.3200 -23.6600
4 C8y C 13.5100 -24.3600
5 C8y C 14.7700 -23.6600
6 C8y C 14.7700 -22.2600
7 N5x N 13.5100 -21.5600
8 N5x N 16.1000 -24.0800
9 C8x C 16.8700 -22.9600
10 N4y N 16.1000 -21.8400
11 S2a S 11.1300 -21.5600
12 C1b C 9.9400 -22.2600
13 C1b C 8.7500 -21.5600
14 C1d C 7.5600 -22.2600
15 N1b N 13.5100 -25.7600
16 C1b C 12.3200 -26.4600
17 C1y C 16.5900 -20.5100
18 O2x O 17.9200 -20.0900
19 C1y C 17.9200 -18.6900
20 C1y C 16.5900 -18.2000
21 C1y C 15.7500 -19.3200
22 O1a O 14.3500 -19.3200
23 O1a O 16.1700 -16.8700
24 P1b P 21.5600 -17.9900
25 O2b O 20.3000 -18.6900
26 C1b C 19.1100 -17.9900
27 C1b C 11.1300 -25.7600
28 S2a S 9.9400 -26.4600
29 C1a C 8.7500 -25.7600
30 X F 6.3700 -22.9600
31 X F 6.8600 -21.0700
32 X F 8.2600 -23.4500
33 O2c O 22.7500 -18.6900
34 P1b P 23.9400 -17.9900
35 C1d C 25.1300 -18.6900
36 P1b P 26.3200 -17.9900
37 O1c O 27.5800 -18.6900 #-
38 O1c O 21.5600 -16.5900 #-
39 O1c O 21.5600 -19.3900
40 O1c O 23.9400 -16.5900 #-
41 O1c O 23.9400 -19.3900
42 X Cl 25.1300 -20.0900
43 X Cl 25.1300 -17.2900
44 O1c O 26.3200 -16.5900 #-
45 O1c O 26.3200 -19.3900
46 Z Na 24.2900 -23.1000 #+
47 Z Na 24.2900 -23.1000 #+
48 Z Na 24.2900 -23.1000 #+
BOND 46
1 2 3 2
2 3 4 1
3 4 5 2
4 5 6 1
5 6 7 2
6 2 7 1
7 5 8 1
8 8 9 2
9 9 10 1
10 6 10 1
11 2 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 4 15 1
16 16 15 1
17 17 10 1 #Up
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 17 21 1
23 21 22 1 #Down
24 20 23 1 #Down
25 24 25 1
26 25 26 1
27 19 26 1 #Up
28 16 27 1
29 27 28 1
30 28 29 1
31 14 30 1
32 14 31 1
33 14 32 1
34 24 33 1
35 33 34 1
36 34 35 1
37 35 36 1
38 36 37 1
39 24 38 1
40 24 39 2
41 34 40 1
42 34 41 2
43 35 42 1
44 35 43 1
45 36 44 1
46 36 45 2
BRACKET 1 23.3100 -23.8700 23.3100 -22.1900
1 25.9000 -22.1900 25.9000 -23.8700
1 4
ORIGINAL 1 1
REPEAT 1 46 47 48
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