| Entry |
|
|---|
| Name |
Cisapride (USP/INN) |
|---|
| Formula |
C23H29ClFN3O4
|
|---|
| Exact mass |
465.1831
|
|---|
| Mol weight |
465.9455
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Gastrointestinal agent
DG01763 Propulsive
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
|
|---|
| Remark |
|
|---|
| Efficacy |
Prokinetic, Serotonin receptor agonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Metabolism |
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07211 | Serotonin receptor agonists/antagonists |
| map07213 | Dopamine receptor agonists/antagonists |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A03F PROPULSIVES
A03FA Propulsives
A03FA02 Cisapride
D00274 Cisapride (USP/INN)
Drug groups [BR:br08330]
Gastrointestinal agent
DG01763 Propulsive
DG00056 Cisapride
D00274 Cisapride
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG00056 Cisapride
D00274 Cisapride
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Serotonin
HTR2A
D00274 Cisapride (USP/INN)
HTR4
D00274 Cisapride (USP/INN)
Ion channels
Ligand-gated ion channels
Serotonin
HTR3A
D00274 Cisapride (USP/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D00274
Drug groups [BR:br08330]
Gastrointestinal agent
DG01763 Propulsive
DG00056 Cisapride
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG00056 Cisapride
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 32
1 C5a C 13.7900 -15.4000
2 N1b N 15.0500 -14.7000
3 O5a O 13.7900 -16.7999
4 C1y C 16.2400 -15.4000
5 C1y C 16.2400 -16.7999
6 C1x C 17.4300 -14.7000
7 C1x C 17.4300 -17.5000
8 O2a O 14.9800 -17.5000
9 C1x C 18.6200 -15.4000
10 N1y N 18.6200 -16.7999
11 C1a C 14.9800 -18.8999
12 C1b C 19.8100 -17.5700
13 C1b C 21.0700 -16.8699
14 C1b C 22.2600 -17.5700
15 O2a O 23.4500 -16.8699
16 C8y C 24.7100 -17.5700
17 C8x C 24.7100 -18.9699
18 C8x C 25.9000 -16.8699
19 C8x C 25.9000 -19.6700
20 C8x C 27.0901 -17.6400
21 C8y C 27.0901 -19.0399
22 X F 28.3500 -19.7400
23 C8y C 12.5834 -14.6900
24 C8y C 12.5950 -13.2999
25 C8x C 11.3884 -12.5899
26 C8y C 10.1702 -13.2797
27 C8y C 10.1586 -14.6698
28 C8x C 11.3652 -15.3799
29 N1a N 8.9578 -12.5661
30 X Cl 8.9209 -15.3703
31 O2a O 13.8170 -12.6080
32 C1a C 13.7589 -11.2005
BOND 34
1 1 2 1
2 1 3 2
3 2 4 1
4 4 5 1
5 4 6 1
6 5 7 1
7 5 8 1
8 6 9 1
9 7 10 1
10 8 11 1
11 10 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 2
17 16 18 1
18 17 19 1
19 18 20 2
20 19 21 2
21 21 22 1
22 9 10 1
23 20 21 1
24 1 23 1
25 23 24 1
26 24 25 2
27 25 26 1
28 26 27 2
29 27 28 1
30 23 28 2
31 26 29 1
32 27 30 1
33 24 31 1
34 31 32 1
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