Compound Detail
CHEMBL1766798
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Basic Information
| ChEMBL ID | CHEMBL1766798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWDMLSJSCLVQLN-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
2.52
ALogP
7
HBA
3
HBD
135.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase ATR CHEMBL5024 | IC50 | 8.1 | 7.26 | 8.0 | 2 |
| DNA-dependent protein kinase catalytic subunit CHEMBL3142 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase ATR | IC50 | = | 8.0 | nM | 8.1 | Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate ... | 21413798 |
| Serine/threonine-protein kinase ATR | IC50 | = | 380.0 | nM | 6.42 | Inhibition of ATR in human HT-29 cells assessed as hydroxyurea-induced phosphory... | 21413798 |
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of DNAPK after 2 hrs by radiometric phosphate incorporation assay | 21413798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21413798 | 10.1021/jm101488z | Serine/threonine-protein kinase ATR | 2 |
| 21413798 | 10.1021/jm101488z | Serine-protein kinase ATM | 1 |
| 21413798 | 10.1021/jm101488z | DNA-dependent protein kinase catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine