Compound Detail
CHEMBL5421161
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CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccccn4)sc23)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL5421161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYOMJFNMMYKWIC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
596.6
MW (Da)
7.23
ALogP
8
HBA
1
HBD
95.3
PSA (Ų)
0.20
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage-stimulating protein receptor CHEMBL2689 | IC50 | 9.32 | 9.32 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage-stimulating protein receptor | IC50 | = | 0.48 | nM | 9.32 | Inhibition of N-terminal GST-tagged human recombinant RON (979 to 1400(end) resi... | 37736180 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37736180 | 10.1021/acsmedchemlett.3c00206 | HT-29 | 1 |
| 37736180 | 10.1021/acsmedchemlett.3c00206 | Macrophage-stimulating protein receptor | 1 |
| 37736180 | 10.1021/acsmedchemlett.3c00206 | KM12C | 1 |
| 37736180 | 10.1021/acsmedchemlett.3c00206 | SW-620 | 1 |
Data from ChEMBL 36 via Core Engine