Compound Detail
CHEMBL3648331
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Basic Information
| ChEMBL ID | CHEMBL3648331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTCWKARBWYESMQ-SGSXECEGSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
1.20
ALogP
8
HBA
2
HBD
125.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase ATR CHEMBL5024 | IC50 | 8.59 | 8.575 | 2.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase ATR | IC50 | = | 2.578 | nM | 8.59 | Cellular Assay: ATM and ATR have distinct and overlapping responses to DNA damag... | - |
| Serine/threonine-protein kinase ATR | IC50 | = | 2.757 | nM | 8.56 | Cellular Assay: ATM and ATR have distinct and overlapping responses to DNA damag... | - |
Data from ChEMBL 36 via Core Engine