Compound Detail
CHEMBL1765107
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1765107 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWYXGQALIALHJZ-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
291.3
MW (Da)
2.37
ALogP
5
HBA
2
HBD
93.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.75
Ki 2 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase ATR CHEMBL5024 | Ki | 7.26 | 7.26 | 55.0 | 2 |
| Serine/threonine-protein kinase ATR CHEMBL5024 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase ATR | Ki | = | 55.0 | nM | 7.26 | Inhibition Assay: Compounds were screened for their ability to inhibit ATR kinas... | - |
| Serine/threonine-protein kinase ATR | Ki | = | 55.0 | nM | 7.26 | Inhibition Assay: Compounds were screened for their ability to inhibit ATR kinas... | - |
| Serine/threonine-protein kinase ATR | IC50 | = | 180.0 | nM | 6.75 | Inhibition of full length recombinant ATR after 24 hrs by radiometric phosphate ... | 21413798 |
| Cytochrome P450 3A4 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of CYP3A4 | 21413798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21413798 | 10.1021/jm101488z | Cytochrome P450 3A4 | 1 |
| 21413798 | 10.1021/jm101488z | Serine/threonine-protein kinase ATR | 1 |
| 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