Compound Detail
CHEMBL4207205
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Basic Information
| ChEMBL ID | CHEMBL4207205 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQMOTDMBBHSHSS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
403.5
MW (Da)
2.72
ALogP
9
HBA
3
HBD
137.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase ATR CHEMBL5024 | IC50 | 6.57 | 6.415 | 269.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase ATR | IC50 | = | 269.0 | nM | 6.57 | Inhibition of human recombinant FLAG-tagged full length ATR expressed in mammali... | 28131712 |
| Serine/threonine-protein kinase ATR | IC50 | = | 547.0 | nM | 6.26 | Inhibition of human recombinant FLAG-tagged full length ATR expressed in mammali... | 28131712 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28131712 | 10.1016/j.bmcl.2017.01.045 | Serine/threonine-protein kinase ATR | 2 |
Data from ChEMBL 36 via Core Engine