Compound Detail
CHEMBL5793218
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COc1cc(N2CC=C(Oc3ccc(C4CC4)cc3)C2=O)ccc1OCCN1CC(NC(=O)OC(C)(C)C)C1
Basic Information
| ChEMBL ID | CHEMBL5793218 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMRFKYXTCFHUPR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
535.6
MW (Da)
4.47
ALogP
7
HBA
1
HBD
89.6
PSA (Ų)
0.48
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.4 | 9.4 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.4 | nM | 9.4 | Radioligand Binding Assay: An in vitro binding assay was used to determine the c... | - |
Data from ChEMBL 36 via Core Engine