Compound Detail
CHEMBL243930
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Basic Information
| ChEMBL ID | CHEMBL243930 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARFVIJRLJQKBFU-UHFFFAOYSA-N |
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
316.3
MW (Da)
1.27
ALogP
4
HBA
2
HBD
99.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 6.57 | 6.57 | 269.0 | 2 |
| HCT-116 CHEMBL394 | IC50 | 5.28 | 5.28 | 5300.0 | 2 |
| L1210 CHEMBL386 | IC50 | 5.17 | 5.17 | 6800.0 | 2 |
| HT-29 CHEMBL384 | IC50 | 4.76 | 4.76 | 17400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 269.0 | nM | 6.57 | Inhibition of human Chk1 expressed in Sf9 cells | 17722905 |
| Serine/threonine-protein kinase Chk1 | IC50 | = | 269.0 | nM | 6.57 | Inhibition of human Chk1 | 18321713 |
| HCT-116 | IC50 | = | 5300.0 | nM | 5.28 | Antiproliferative activity against human HCT116 cells after 4 hrs by microcultur... | 17722905 |
| HCT-116 | IC50 | = | 5300.0 | nM | 5.28 | Cytotoxicity against human HCT116 cells after 4 hrs by microculture tetrazolium ... | 18321713 |
| L1210 | IC50 | = | 6800.0 | nM | 5.17 | Antiproliferative activity against mouse L1210 cells after 4 hrs by microculture... | 17722905 |
| L1210 | IC50 | = | 6800.0 | nM | 5.17 | Cytotoxicity against mouse L1210 cells after 4 hrs by microculture tetrazolium a... | 18321713 |
| HT-29 | IC50 | = | 17400.0 | nM | 4.76 | Antiproliferative activity against human HT29 cells after 4 hrs by microculture ... | 17722905 |
| HT-29 | IC50 | = | 17400.0 | nM | 4.76 | Cytotoxicity against human HT29 cells after 4 hrs by microculture tetrazolium as... | 18321713 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17722905 | 10.1021/jm070664k | Serine/threonine-protein kinase Chk1 | 2 |
| 18321713 | 10.1016/j.bmc.2008.02.061 | Serine/threonine-protein kinase Chk1 | 2 |
| 17722905 | 10.1021/jm070664k | HT-29 | 1 |
| 17722905 | 10.1021/jm070664k | HCT-116 | 1 |
| 17722905 | 10.1021/jm070664k | L1210 | 1 |
| 18321713 | 10.1016/j.bmc.2008.02.061 | L1210 | 1 |
| 18321713 | 10.1016/j.bmc.2008.02.061 | HCT-116 | 1 |
| 18321713 | 10.1016/j.bmc.2008.02.061 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine