Compound Detail
CHEMBL18727
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C[C@H](NC(=O)C1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1)C(=O)NCCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL18727 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POTPSEYTYFJVAU-QWMSRCPPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
442.6
MW (Da)
2.90
ALogP
3
HBA
3
HBD
77.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2798 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 12000.0 | nM | 4.92 | Concentration of compound required to inhibit binding of [125I]J-BH-CCK-8 radiol... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80644-7 | Cholecystokinin receptor type A | 1 |
| - | 10.1016/S0960-894X(00)80644-7 | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine