Compound Detail
CHEMBL256893
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CN1CCN(Cc2ccc(Nc3ncc4c(=O)c(C(N)=O)cn(-c5ccc6c(c5)CCC6)c4n3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL256893 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWPVUHHCWGVPNJ-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
3
PK Parameters
14
Publications
0
Known Names
Molecular Properties
509.6
MW (Da)
2.86
ALogP
8
HBA
2
HBD
109.4
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Macrophage CHEMBL612578 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 7.85 | 7.85 | 14.0 | 2 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 29.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 4.0 | % | Rattus norvegicus |
| Vd | 26.5 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of FLT3 | 18342505 |
| Macrophage | IC50 | = | 11.0 | nM | 7.96 | Inhibition of CSF1-induced proliferation of mouse bone marrow derived macrophage... | 18342505 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 14.0 | nM | 7.85 | Inhibition of ATP-induced CSF1R autophosphorylation | 18342505 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 14.0 | nM | 7.85 | Inhibition of CSF1R | 18342505 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 28.0 | nM | 7.55 | Inhibition of KIT | 18342505 |
| High affinity nerve growth factor receptor | IC50 | = | 310.0 | nM | 6.51 | Inhibition of TrkA | 18342505 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of Src | 18342505 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18342505 | 10.1016/j.bmcl.2008.02.070 | Rattus norvegicus | 3 |
| 18342505 | 10.1016/j.bmcl.2008.02.070 | Mus musculus | 2 |
| 18342505 | 10.1016/j.bmcl.2008.02.070 | Macrophage colony-stimulating factor 1 receptor | 2 |
| 18342505 | 10.1016/j.bmcl.2008.02.070 | Liver microsomes | 2 |
| 18342505 | 10.1016/j.bmcl.2008.02.070 | Macrophage | 1 |
| 18342505 | 10.1016/j.bmcl.2008.02.070 | Adenosine receptor A3 | 1 |
| 18342505 | 10.1016/j.bmcl.2008.02.070 | Adenosine receptor A2a | 1 |
| 18342505 | 10.1016/j.bmcl.2008.02.070 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 18342505 | 10.1016/j.bmcl.2008.02.070 | Mast/stem cell growth factor receptor Kit | 1 |
| 18342505 | 10.1016/j.bmcl.2008.02.070 | Platelet-derived growth factor receptor beta | 1 |
| 18342505 | 10.1016/j.bmcl.2008.02.070 | Tyrosine-protein kinase receptor UFO | 1 |
| 18342505 | 10.1016/j.bmcl.2008.02.070 | High affinity nerve growth factor receptor | 1 |
| 18342505 | 10.1016/j.bmcl.2008.02.070 | Unchecked | 1 |
| 18342505 | 10.1016/j.bmcl.2008.02.070 | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine