Compound Detail
CHEMBL4870360
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Basic Information
| ChEMBL ID | CHEMBL4870360 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQRHGQMIXCBRQP-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
5
PK Parameters
6
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
4.21
ALogP
7
HBA
2
HBD
101.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.17
IC50 1 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 7.9 | 7.9 | 12.7 | 1 |
| NFS-60 CHEMBL614199 | EC50 | 7.17 | 7.17 | 67.0 | 1 |
| BaF3 CHEMBL614524 | EC50 | 7.06 | 7.06 | 87.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 24.7 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 30.7 | % | Rattus norvegicus |
| T1/2 | 1.2 | hr | Rattus norvegicus |
| T1/2 | 4.8 | hr | Rattus norvegicus |
| Tmax | 2.3 | hr | 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 | = | 12.7 | nM | 7.9 | Inhibition of human recombinant GST-CSF1R (residues L534 to C972) expressed in S... | 34606263 |
| NFS-60 | EC50 | = | 67.0 | nM | 7.17 | Antiproliferative activity against mouse NFS-60 cells transfected with human ETV... | 34606263 |
| BaF3 | EC50 | = | 87.0 | nM | 7.06 | Antiproliferative activity against mouse BaF3 cells transfected with human ETV6-... | 34606263 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34606263 | 10.1021/acs.jmedchem.1c01006 | ADMET | 9 |
| 34606263 | 10.1021/acs.jmedchem.1c01006 | Macrophage colony-stimulating factor 1 receptor | 1 |
| 34606263 | 10.1021/acs.jmedchem.1c01006 | Aurora kinase A | 1 |
| 34606263 | 10.1021/acs.jmedchem.1c01006 | Aurora kinase B | 1 |
| 34606263 | 10.1021/acs.jmedchem.1c01006 | BaF3 | 1 |
| 34606263 | 10.1021/acs.jmedchem.1c01006 | NFS-60 | 1 |
Data from ChEMBL 36 via Core Engine