Compound Detail
CHEMBL370698
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Basic Information
| ChEMBL ID | CHEMBL370698 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBOXDNIWQACYPW-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
409.4
MW (Da)
1.61
ALogP
8
HBA
4
HBD
158.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | IC50 | 8.43 | 8.43 | 3.7 | 1 |
| HeLa CHEMBL399 | IC50 | 5.43 | 5.43 | 3730.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
| Interferon-induced, double-stranded RNA-activated protein kinase CHEMBL5785 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| A-375 CHEMBL613859 | IC50 | 4.32 | 4.32 | 48300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 1/cyclin B | IC50 | = | 3.7 | nM | 8.43 | Inhibition of Cyclin B-cyclin-dependent kinase 1 | 15974571 |
| HeLa | IC50 | = | 3730.0 | nM | 5.43 | In vitro inhibitory concentration against cell proliferation in s human HeLa (ce... | 15974571 |
| HCT-116 | IC50 | = | 4700.0 | nM | 5.33 | In vitro inhibitory concentration against cell proliferation in human HCT116 (co... | 15974571 |
| Interferon-induced, double-stranded RNA-activated protein kinase | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of human recombinant PKR autophosphorylation using poly[I:C] after 10... | 21632247 |
| A-375 | IC50 | = | 48300.0 | nM | 4.32 | In vitro inhibitory concentration against cell proliferation in human A375 (mali... | 15974571 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15974571 | 10.1021/jm050267e | Cyclin-dependent kinase 1/cyclin B | 1 |
| 15974571 | 10.1021/jm050267e | HeLa | 1 |
| 15974571 | 10.1021/jm050267e | HCT-116 | 1 |
| 15974571 | 10.1021/jm050267e | A-375 | 1 |
| 21632247 | 10.1016/j.bmcl.2011.04.149 | Interferon-induced, double-stranded RNA-activated protein kinase | 1 |
Data from ChEMBL 36 via Core Engine