Compound Detail
CHEMBL2158298
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N#Cc1c[nH]c(C(=O)Nc2ccc(C3CCN(C(=O)CCN4CCOCC4)CC3)cc2C2=CCCCC2)n1
Basic Information
| ChEMBL ID | CHEMBL2158298 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMNMIWIJQSLPMT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
516.6
MW (Da)
3.92
ALogP
6
HBA
2
HBD
114.3
PSA (Ų)
0.58
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL5570 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 5.04 | 5.04 | 9100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 1.7 | nM | 8.77 | Inhibition of FMS mediated phosphorylation using SYEGNSYTFIDPTQ as substrate aft... | 22039836 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 3.2 | nM | 8.49 | Inhibition of FMS-mediated proliferation in CSF1-stimulated bone marrow-derived ... | 22039836 |
| Cytochrome P450 2C19 | IC50 | = | 9100.0 | nM | 5.04 | Inhibition of CYP2C19 | 22039836 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22039836 | 10.1021/jm200900q | Macrophage colony-stimulating factor 1 receptor | 2 |
| 22039836 | 10.1021/jm200900q | Liver microsomes | 1 |
| 22039836 | 10.1021/jm200900q | Cytochrome P450 1A2 | 1 |
| 22039836 | 10.1021/jm200900q | Cytochrome P450 2C9 | 1 |
| 22039836 | 10.1021/jm200900q | Cytochrome P450 2C19 | 1 |
| 22039836 | 10.1021/jm200900q | Cytochrome P450 3A4 | 1 |
| 22039836 | 10.1021/jm200900q | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 22039836 | 10.1021/jm200900q | Liver | 1 |
Data from ChEMBL 36 via Core Engine