Compound Detail
CHEMBL5822317
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CCc1ccc(C(C)NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc2nc(Nc3cnn(C)c3)ncc2c1
Basic Information
| ChEMBL ID | CHEMBL5822317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRXJPNNOYXAWGZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
544.6
MW (Da)
6.85
ALogP
6
HBA
2
HBD
84.7
PSA (Ų)
0.23
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Discoidin domain-containing receptor 2 CHEMBL5122 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Discoidin domain-containing receptor 2 | IC50 | = | 3.3 | nM | 8.48 | Enzyme-linked immunosorbent assay (ELISA): Enzyme reaction substrate Poly(Glu, T... | - |
Data from ChEMBL 36 via Core Engine