Compound Detail
CHEMBL3695214
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Basic Information
| ChEMBL ID | CHEMBL3695214 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJAQQKJDEHDCCU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
3.16
ALogP
8
HBA
1
HBD
116.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase ATR CHEMBL5024 | Ki | 8.22 | 8.22 | 6.0 | 2 |
| Serine-protein kinase ATM CHEMBL3797 | Ki | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase ATR | Ki | = | 6.0 | nM | 8.22 | Inhibition Assay: Compounds were screened for their ability to inhibit ATR kinas... | - |
| Serine/threonine-protein kinase ATR | Ki | = | 6.0 | nM | 8.22 | Inhibition of recombinant human full-length N-terminal Flag epitope-tagged ATR e... | 31074988 |
| Serine-protein kinase ATM | Ki | = | 1300.0 | nM | 5.89 | Inhibition of full-length ATM (unknown origin) using DPSVEPPLSQETFSDKKK peptide ... | 31074988 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31074988 | 10.1021/acs.jmedchem.9b00426 | Serine/threonine-protein kinase ATR | 2 |
| 31074988 | 10.1021/acs.jmedchem.9b00426 | Serine-protein kinase ATM | 1 |
| 31074988 | 10.1021/acs.jmedchem.9b00426 | DNA-dependent protein kinase catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine