Compound Detail
CHEMBL4562902
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Basic Information
| ChEMBL ID | CHEMBL4562902 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQICRGUNIHPQQM-CQSZACIVSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
391.4
MW (Da)
1.67
ALogP
10
HBA
3
HBD
125.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 8.61 | 8.61 | 2.4 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 7.19 | 7.19 | 64.0 | 1 |
| Z-138 CHEMBL4483276 | IC50 | 6.38 | 6.38 | 413.0 | 1 |
| JeKo-1 CHEMBL4296445 | IC50 | 6.11 | 6.11 | 770.0 | 1 |
| Ramos CHEMBL614629 | IC50 | 5.45 | 5.45 | 3586.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.44 | 5.44 | 3640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 2.43 | nM | 8.61 | Inhibition of recombinant human N-terminal GST-tagged CHK1 (M1 to T476 residues)... | 30986571 |
| MV4-11 | IC50 | = | 64.0 | nM | 7.19 | Inhibition of human MV411 cells incubated for 72 hrs by cellTiter 96 aqueous one... | 30986571 |
| Z-138 | IC50 | = | 413.0 | nM | 6.38 | Inhibition of human Z138 cells incubated for 72 hrs by cellTiter 96 aqueous one ... | 30986571 |
| JeKo-1 | IC50 | = | 770.0 | nM | 6.11 | Inhibition of human JeKo1 cells incubated for 72 hrs by cellTiter 96 aqueous one... | 30986571 |
| Ramos | IC50 | = | 3586.0 | nM | 5.45 | Inhibition of human Ramos cells incubated for 72 hrs by cellTiter 96 aqueous one... | 30986571 |
| Unchecked | IC50 | = | 3640.0 | nM | 5.44 | Inhibition of human Mino cells incubated for 72 hrs by cellTiter 96 aqueous one ... | 30986571 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30986571 | 10.1016/j.ejmech.2019.03.062 | Serine/threonine-protein kinase Chk1 | 1 |
| 30986571 | 10.1016/j.ejmech.2019.03.062 | RPMI-8226 | 1 |
| 30986571 | 10.1016/j.ejmech.2019.03.062 | Unchecked | 1 |
| 30986571 | 10.1016/j.ejmech.2019.03.062 | Ramos | 1 |
| 30986571 | 10.1016/j.ejmech.2019.03.062 | JeKo-1 | 1 |
| 30986571 | 10.1016/j.ejmech.2019.03.062 | MV4-11 | 1 |
| 30986571 | 10.1016/j.ejmech.2019.03.062 | Z-138 | 1 |
Data from ChEMBL 36 via Core Engine