Compound Detail
CHEMBL353148
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CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C=C/c1ccccc1)C(=O)N1CC(=O)N[C@@H](Cc2ccccc2)C1
Basic Information
| ChEMBL ID | CHEMBL353148 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVRFDDIXIMHJLH-DJHGZAOCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
619.8
MW (Da)
4.01
ALogP
4
HBA
4
HBD
123.4
PSA (Ų)
0.18
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2798 | IC50 | 6.28 | 6.28 | 520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 520.0 | nM | 6.28 | Concentration producing half-maximal inhibition of specific binding of [125I]- C... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80253-5 | Cholecystokinin receptor type A | 1 |
| - | 10.1016/S0960-894X(01)80253-5 | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine