Compound Detail
CHEMBL5396164
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CCOc1ccn(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCOCC5)cn4)sc23)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL5396164 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVQQAXADCOEAFY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
8
PK Parameters
16
Publications
0
Known Names
Molecular Properties
695.8
MW (Da)
7.06
ALogP
10
HBA
1
HBD
107.8
PSA (Ų)
0.16
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage-stimulating protein receptor CHEMBL2689 | IC50 | 9.41 | 9.41 | 0.4 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 7240.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 12600.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 11.5 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 2903.34 | nM | Rattus norvegicus |
| F | 87.01 | % | Rattus norvegicus |
| T1/2 | 3.28 | hr | Rattus norvegicus |
| T1/2 | 3.1 | hr | Rattus norvegicus |
| Tmax | 1.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage-stimulating protein receptor | IC50 | = | 0.39 | nM | 9.41 | 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 | ADMET | 10 |
| 37736180 | 10.1021/acsmedchemlett.3c00206 | KM12C | 6 |
| 37736180 | 10.1021/acsmedchemlett.3c00206 | Unchecked | 6 |
| 37736180 | 10.1021/acsmedchemlett.3c00206 | HT-29 | 2 |
| 37736180 | 10.1021/acsmedchemlett.3c00206 | SW-620 | 2 |
| 37736180 | 10.1021/acsmedchemlett.3c00206 | Macrophage-stimulating protein receptor | 1 |
| 37736180 | 10.1021/acsmedchemlett.3c00206 | LS-411N | 1 |
| 37736180 | 10.1021/acsmedchemlett.3c00206 | SW1417 | 1 |
| 37736180 | 10.1021/acsmedchemlett.3c00206 | PANC-1 | 1 |
| 37736180 | 10.1021/acsmedchemlett.3c00206 | CAPAN-1 | 1 |
| 37736180 | 10.1021/acsmedchemlett.3c00206 | PANC-03-27 | 1 |
| 37736180 | 10.1021/acsmedchemlett.3c00206 | SW480 | 1 |
| 37736180 | 10.1021/acsmedchemlett.3c00206 | HCT-15 | 1 |
| 37736180 | 10.1021/acsmedchemlett.3c00206 | MIA PaCa-2 | 1 |
| 37736180 | 10.1021/acsmedchemlett.3c00206 | ASPC1 | 1 |
| 37736180 | 10.1021/acsmedchemlett.3c00206 | T84 | 1 |
Data from ChEMBL 36 via Core Engine