Compound Detail
CHEMBL435407
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COC(=O)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2C[C@@H](NC(=O)OCc3ccccc3)C(=O)N12
Basic Information
| ChEMBL ID | CHEMBL435407 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTONYPXFMSECSH-HYJYBNJOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
594.7
MW (Da)
3.95
ALogP
6
HBA
3
HBD
129.8
PSA (Ų)
0.25
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL3508 | IC50 | 5.31 | 5.31 | 4914.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 4914.0 | nM | 5.31 | In vitro inhibition of [3H]propionyl-CCK-8 binding to rat cerebral cortex membra... | 11020292 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11020292 | 10.1021/jm000959x | Cholecystokinin receptor type A | 1 |
| 11020292 | 10.1021/jm000959x | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine