Compound Detail
CHEMBL3355473
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Basic Information
| ChEMBL ID | CHEMBL3355473 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDTITDFDVMHDCX-CQSZACIVSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
2.81
ALogP
7
HBA
1
HBD
93.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.24
IC50 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase ATR CHEMBL5024 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | EC50 | 6.24 | 6.24 | 570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase ATR | IC50 | = | 1.0 | nM | 9.0 | Inhibition of human ATR using ATP substrate measured after 3 hrs | 25589928 |
| Serine/threonine-protein kinase Chk1 | EC50 | = | 570.0 | nM | 6.24 | Inhibition of full-length Chk1 in HeLa S3 cells assessed as phosphorylation at S... | 25589928 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25589928 | 10.1021/ml500352s | Serine/threonine-protein kinase Chk1 | 1 |
| 25589928 | 10.1021/ml500352s | Serine/threonine-protein kinase ATR | 1 |
Data from ChEMBL 36 via Core Engine