Compound Detail
CHEMBL425904
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Basic Information
| ChEMBL ID | CHEMBL425904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IODANOYNIPFWFE-UHFFFAOYSA-N |
7
Targets
8
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
374.8
MW (Da)
2.97
ALogP
6
HBA
2
HBD
103.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.1
EC50 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| HeLa CHEMBL399 | EC50 | 6.4 | 6.11 | 400.0 | 2 |
| MAP/microtubule affinity-regulating kinase 3 CHEMBL5600 | IC50 | 5.82 | 5.82 | 1508.0 | 1 |
| Serine/threonine-protein kinase Chk2 CHEMBL2527 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 5.49 | 5.49 | 3229.0 | 1 |
| Protein kinase C delta type CHEMBL2996 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of Serine/threonine-protein kinase Chk1 | 15857116 |
| HeLa | EC50 | = | 400.0 | nM | 6.4 | Anti-proliferative activity against HeLa cells in the presence of 150 nM of doxo... | 15857116 |
| HeLa | EC50 | = | 1500.0 | nM | 5.82 | Anti-proliferative activity against HeLa cells | 15857116 |
| MAP/microtubule affinity-regulating kinase 3 | IC50 | = | 1508.0 | nM | 5.82 | Inhibition of MAP/microtubule affinity-regulating kinase 3 (cTak1) | 15857116 |
| Serine/threonine-protein kinase Chk2 | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of Serine/threonine-protein kinase Chk2 | 15857116 |
| Aurora kinase A | IC50 | = | 3229.0 | nM | 5.49 | Inhibition of Aurora kinase A (Aur1) | 15857116 |
| Protein kinase C delta type | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of Protein kinase C delta (PKCdelta) | 15857116 |
| Unchecked | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of Protein kinase C gamma (PKCgamma) | 15857116 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15857116 | 10.1021/jm048989d | HeLa | 3 |
| 15857116 | 10.1021/jm048989d | Unchecked | 2 |
| 15857116 | 10.1021/jm048989d | Protein kinase C delta type | 1 |
| 15857116 | 10.1021/jm048989d | Aurora kinase A | 1 |
| 15857116 | 10.1021/jm048989d | MAP/microtubule affinity-regulating kinase 3 | 1 |
| 15857116 | 10.1021/jm048989d | Serine/threonine-protein kinase Chk1 | 1 |
| 15857116 | 10.1021/jm048989d | Serine/threonine-protein kinase Chk2 | 1 |
| 15857116 | 10.1021/jm048989d | RAC-alpha serine/threonine-protein kinase | 1 |
| 15857116 | 10.1021/jm048989d | Cyclin-dependent kinase 1 | 1 |
| 15857116 | 10.1021/jm048989d | Mitogen-activated protein kinase 1 | 1 |
| 15857116 | 10.1021/jm048989d | Serine/threonine-protein kinase Sgk1 | 1 |
Data from ChEMBL 36 via Core Engine