Compound Detail
CHEMBL1532238
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Basic Information
| ChEMBL ID | CHEMBL1532238 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNVNMMXIZHBCAD-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
304.8
MW (Da)
2.93
ALogP
5
HBA
1
HBD
71.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase) CHEMBL2111377 | IC50 | 5.38 | 5.38 | 4150.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.92 | 4.5125 | 12080.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase) | IC50 | = | 4150.0 | nM | 5.38 | Inhibition of recombinant human CDC7/Dbf4 expressed in baculovirus infected Sf9 ... | 33139113 |
| Unchecked | IC50 | = | 12080.0 | nM | 4.92 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Unchecked | IC50 | = | 19080.0 | nM | 4.72 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
| Unchecked | IC50 | = | 61057.0 | nM | 4.21 | PUBCHEM_BIOASSAY: Counterscreen for AddAB inhibitors: absorbance-based bacterial... | - |
| Unchecked | IC50 | = | 63453.0 | nM | 4.2 | PUBCHEM_BIOASSAY: Absorbance-based bacterial cell-based high throughput dose res... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33139113 | 10.1016/j.ejmech.2020.112968 | CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase) | 1 |
Data from ChEMBL 36 via Core Engine