Compound Detail
CHEMBL14153
PD-170292 Enter ChEMBL ID:
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Cc1ccccc1NC(=O)NCCCC[C@@H](CC(=O)O)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3
Basic Information
| ChEMBL ID | CHEMBL14153 |
| Name | PD-170292 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMIPXHAXVWAMTP-VUFPLIBQSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
671.8
MW (Da)
6.28
ALogP
5
HBA
6
HBD
161.7
PSA (Ų)
0.11
QED
3
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.92
EC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 8.92 | 8.92 | 1.2 | 2 |
| Rattus norvegicus CHEMBL376 | EC50 | 8.3 | 8.3 | 5.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL2854 | IC50 | 8.17 | 8.17 | 6.7 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL3508 | IC50 | 8.17 | 8.17 | 6.7 | 1 |
| Jurkat CHEMBL397 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 1.2 | nM | 8.92 | Compound was evaluated for the binding affinity towards rat pancreatic Cholecyst... | 10866391 |
| Cholecystokinin receptor type A | IC50 | = | 1.2 | nM | 8.92 | Inhibition of [3H]propionyl-CCK-8 specific binding to rat pancreatic Cholecystok... | 11755332 |
| Rattus norvegicus | EC50 | = | 5.0 | nM | 8.3 | Compound was evaluated for the inhibition of amylase secretion in isolated rat p... | 10866391 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 6.7 | nM | 8.17 | Binding affinity towards Cholecystokinin type B receptor in mouse cortex membran... | 10866391 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 6.7 | nM | 8.17 | Inhibition of [3H]propionyl-CCK-8 specific binding to rat cerebral cortex membra... | 11755332 |
| Jurkat | IC50 | = | 40.0 | nM | 7.4 | Compound was evaluated for calcium mobilization in Jurkat cells | 10866391 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10866391 | 10.1016/s0960-894x(00)00198-0 | Jurkat | 2 |
| 10866391 | 10.1016/s0960-894x(00)00198-0 | Cholecystokinin receptor type A | 1 |
| 10866391 | 10.1016/s0960-894x(00)00198-0 | Gastrin/cholecystokinin type B receptor | 1 |
| 10866391 | 10.1016/s0960-894x(00)00198-0 | Rattus norvegicus | 1 |
| 11755332 | 10.1016/s0960-894x(01)00630-8 | Cholecystokinin receptor type A | 1 |
| 11755332 | 10.1016/s0960-894x(01)00630-8 | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine