Compound Detail
CHEMBL3086324
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC1(C)CC=C(c2cc(C(C)(C)N3CCN(CCO)CC3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1.Cl
Basic Information
| ChEMBL ID | CHEMBL3086324 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJUUGSWYSMHBRZ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3085833 |
| Active Moiety | CHEMBL3085833 |
2
Targets
2
Activities
1
Assay Types
7
PK Parameters
1
Publications
0
Known Names
Molecular Properties
490.6
MW (Da)
3.97
ALogP
6
HBA
3
HBD
108.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 9.16 | 9.16 | 0.7 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL5570 | IC50 | 8.06 | 8.06 | 8.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 690.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 34.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 210.0 | nM | Rattus norvegicus |
| F | 31.0 | % | Rattus norvegicus |
| T1/2 | 6.5 | hr | Rattus norvegicus |
| Tmax | 2.8 | hr | Rattus norvegicus |
| Vd | 7.6 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 0.69 | nM | 9.16 | Inhibition of c-fms (unknown origin) assessed as inhibition of CSF-1R phosphoryl... | - |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 8.7 | nM | 8.06 | Inhibition of c-fms in mouse bone marrow macrophages assessed as reduction in re... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24138939 | 10.1016/j.bmcl.2013.09.061 | Rattus norvegicus | 7 |
Data from ChEMBL 36 via Core Engine