Compound Detail
CHEMBL427684
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Basic Information
| ChEMBL ID | CHEMBL427684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCDJENNDQZOSEC-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
381.4
MW (Da)
4.04
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 6.19 | 6.19 | 640.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 4.86 | 4.86 | 13700.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.63 | 4.63 | 23200.0 | 1 |
| L1210 CHEMBL386 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 640.0 | nM | 6.19 | Inhibition of human Chk1 | 17582773 |
| HT-29 | IC50 | = | 13700.0 | nM | 4.86 | Antiproliferative activity against human HT29 cells after 4 hrs by microculture ... | 17582773 |
| A549 | IC50 | = | 23200.0 | nM | 4.63 | Antiproliferative activity against human A549 cells after 4 hrs by microculture ... | 17582773 |
| L1210 | IC50 | = | 27000.0 | nM | 4.57 | Antiproliferative activity against mouse L1210 cells after 4 hrs by microculture... | 17582773 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17582773 | 10.1016/j.bmc.2007.05.073 | Serine/threonine-protein kinase Chk1 | 2 |
| 17582773 | 10.1016/j.bmc.2007.05.073 | L1210 | 1 |
| 17582773 | 10.1016/j.bmc.2007.05.073 | DU-145 | 1 |
| 17582773 | 10.1016/j.bmc.2007.05.073 | A549 | 1 |
| 17582773 | 10.1016/j.bmc.2007.05.073 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine