Compound Detail
CHEMBL252436
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Basic Information
| ChEMBL ID | CHEMBL252436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPVJZBBTXRKDKI-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
11
PK Parameters
8
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
3.39
ALogP
6
HBA
1
HBD
75.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 9.0 | 9.0 | 1.0 | 3 |
| ADMET CHEMBL612558 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Macrophage CHEMBL612578 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1161.85 | ng.hr.mL-1 | Mus musculus |
| CL | 46.0 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 1114.06 | nM | Mus musculus |
| Cmax | 699.35 | nM | Mus musculus |
| F | 39.0 | % | Mus musculus |
| F | 75.0 | % | Mus musculus |
| T1/2 | 1.633 | hr | Mus musculus |
| T1/2 | 3.0 | hr | Mus musculus |
| T1/2 | 3.1 | hr | Mus musculus |
| Tmax | 0.5 | hr | Mus musculus |
| Vd | 12.3 | L.kg-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 1.0 | nM | 9.0 | Inhibition of human cytoplasmic FMS expressed in Sf9-baculovirus system after 80... | 18242992 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 1.0 | nM | 9.0 | Inhibition of FMS | 18495479 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 1.0 | nM | 9.0 | Inhibition of FMS mediated phosphorylation using SYEGNSYTFIDPTQ as substrate aft... | 22039836 |
| Macrophage | IC50 | = | 2.0 | nM | 8.7 | Inhibition of FMS-induced proliferation of bone marrow derived human macrophages | 18242992 |
| ADMET | IC50 | = | 2.0 | nM | 8.7 | Antiproliferative activity against BMDM cells | 18495479 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22039836 | 10.1021/jm200900q | Mus musculus | 11 |
| 18242992 | 10.1016/j.bmcl.2008.01.059 | Mus musculus | 4 |
| 18242992 | 10.1016/j.bmcl.2008.01.059 | Macrophage colony-stimulating factor 1 receptor | 2 |
| 18495479 | 10.1016/j.bmcl.2008.04.059 | Liver | 2 |
| 18242992 | 10.1016/j.bmcl.2008.01.059 | Macrophage | 1 |
| 18495479 | 10.1016/j.bmcl.2008.04.059 | Macrophage colony-stimulating factor 1 receptor | 1 |
| 18495479 | 10.1016/j.bmcl.2008.04.059 | ADMET | 1 |
| 22039836 | 10.1021/jm200900q | Macrophage colony-stimulating factor 1 receptor | 1 |
Data from ChEMBL 36 via Core Engine