Compound Detail
CHEMBL4461940
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COc1ccc(Oc2nc(Nc3ccc(N4CCCCC4)nc3)ncc2NC(=O)c2cc(OC)cc(OC)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL4461940 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCEVSVWCSUFJFR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
556.6
MW (Da)
5.68
ALogP
10
HBA
2
HBD
120.0
PSA (Ų)
0.25
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 5.76 | 5.76 | 1720.0 | 1 |
| Death-associated protein kinase 1 CHEMBL2558 | IC50 | 5.57 | 5.57 | 2690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 1720.0 | nM | 5.76 | Inhibition of human CSF1R using poly[Glu:Tyr] (4:1) as substrate after 120 mins ... | 30445265 |
| Death-associated protein kinase 1 | IC50 | = | 2690.0 | nM | 5.57 | Inhibition of human DAPK1 (1 to 363 residues) using KKLNRTLSFAEPG as substrate a... | 30445265 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30445265 | 10.1016/j.ejmech.2018.10.057 | Death-associated protein kinase 1 | 3 |
| 30445265 | 10.1016/j.ejmech.2018.10.057 | Macrophage colony-stimulating factor 1 receptor | 2 |
| 37708796 | 10.1016/j.ejmech.2023.115796 | Death-associated protein kinase 1 | 1 |
| 37708796 | 10.1016/j.ejmech.2023.115796 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 37708796 | 10.1016/j.ejmech.2023.115796 | Macrophage colony-stimulating factor 1 receptor | 1 |
Data from ChEMBL 36 via Core Engine