Compound Detail
CHEMBL4857803
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 | CHEMBL4857803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVVLNFCQHKOZRL-ULQDDVLXSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
1.67
ALogP
5
HBA
1
HBD
61.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.43
Ki 2 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine-protein kinase ATM CHEMBL3797 | Ki | 9.22 | 9.22 | 0.6 | 1 |
| Serine-protein kinase ATM CHEMBL3797 | IC50 | 8.43 | 7.39 | 3.7 | 2 |
| Phosphatidylinositol 3-kinase catalytic subunit type 3 CHEMBL1075165 | Ki | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine-protein kinase ATM | Ki | = | 0.6 | nM | 9.22 | Inhibition of full length recombinant FLAG-tagged human ATM assessed as decrease... | 33783225 |
| Serine-protein kinase ATM | IC50 | = | 3.7 | nM | 8.43 | Biological Assay: ATM: Recombinant, full length human FLAG-tagged ATM activity (... | - |
| Phosphatidylinositol 3-kinase catalytic subunit type 3 | Ki | = | 5.0 | nM | 8.3 | Inhibition of full length recombinant GST-tagged human VPS34 expressed in baculo... | 33783225 |
| Serine-protein kinase ATM | IC50 | = | 450.0 | nM | 6.35 | Inhibition of ATM in human U2OS cells assessed as reduction in etoposide-stimula... | 33783225 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33783225 | 10.1021/acs.jmedchem.1c00114 | Serine-protein kinase ATM | 2 |
| 33783225 | 10.1021/acs.jmedchem.1c00114 | Phosphatidylinositol 3-kinase catalytic subunit type 3 | 1 |
| 33783225 | 10.1021/acs.jmedchem.1c00114 | Unchecked | 1 |
| 33783225 | 10.1021/acs.jmedchem.1c00114 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine