Compound Detail
CHEMBL5178407
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Basic Information
| ChEMBL ID | CHEMBL5178407 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCRTUEXVVKVKBD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
3.42
ALogP
4
HBA
1
HBD
59.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine-protein kinase ATM CHEMBL3797 | IC50 | 6.51 | 6.51 | 310.0 | 2 |
| SW480 CHEMBL612544 | IC50 | 5.21 | 5.21 | 6200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine-protein kinase ATM | IC50 | = | 310.0 | nM | 6.51 | Competitive inhibition of ATM (unknown origin) measured by ATP-competitive bindi... | 35231830 |
| Serine-protein kinase ATM | IC50 | = | 310.0 | nM | 6.51 | Inhibition of ATM in human HT-29 cells incubated for 2 hrs by Alexa Fluor 488/Ho... | 38306388 |
| SW480 | IC50 | = | 6200.0 | nM | 5.21 | Antiproliferative activity against human SW480 cells assessed as reduction in ce... | 39149790 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35231830 | 10.1016/j.ejmech.2022.114196 | Serine-protein kinase ATM | 1 |
| 38306388 | 10.1021/acs.jmedchem.3c02277 | Serine-protein kinase ATM | 1 |
| 39149790 | 10.1021/acs.jmedchem.4c01064 | SW480 | 1 |
Data from ChEMBL 36 via Core Engine