Compound Detail
CHEMBL5404435
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CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4cn(C)cn4)sc23)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL5404435 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVCCYRAHPMMFKT-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
8
PK Parameters
6
Publications
0
Known Names
Molecular Properties
599.6
MW (Da)
6.57
ALogP
9
HBA
1
HBD
100.3
PSA (Ų)
0.21
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage-stimulating protein receptor CHEMBL2689 | IC50 | 9.39 | 8.72 | 0.4 | 2 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 4370.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 6670.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 3.833 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 1350.86 | nM | Rattus norvegicus |
| F | 30.51 | % | Rattus norvegicus |
| T1/2 | 3.03 | hr | Rattus norvegicus |
| T1/2 | 3.79 | hr | Rattus norvegicus |
| Tmax | 2.67 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage-stimulating protein receptor | IC50 | = | 0.41 | nM | 9.39 | Inhibition of N-terminal GST-tagged human recombinant RON (979 to 1400(end) resi... | 37736180 |
| Hepatocyte growth factor receptor | IC50 | = | 4.0 | nM | 8.4 | Inhibition of c-Met (unknown origin) | 37736180 |
| Macrophage-stimulating protein receptor | IC50 | = | 9.0 | nM | 8.05 | Inhibition of RON (unknown origin) | 37736180 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37736180 | 10.1021/acsmedchemlett.3c00206 | ADMET | 10 |
| 37736180 | 10.1021/acsmedchemlett.3c00206 | Macrophage-stimulating protein receptor | 2 |
| 37736180 | 10.1021/acsmedchemlett.3c00206 | HT-29 | 1 |
| 37736180 | 10.1021/acsmedchemlett.3c00206 | Hepatocyte growth factor receptor | 1 |
| 37736180 | 10.1021/acsmedchemlett.3c00206 | KM12C | 1 |
| 37736180 | 10.1021/acsmedchemlett.3c00206 | SW-620 | 1 |
Data from ChEMBL 36 via Core Engine