Compound Detail
CHEMBL95298
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Basic Information
| ChEMBL ID | CHEMBL95298 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUCJYOZKCJHLND-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
3.21
ALogP
5
HBA
0
HBD
51.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit CHEMBL3142 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 380.0 | nM | 6.42 | Inhibitory activity against DNA-dependent protein kinase receptor | 16302822 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15125945 | 10.1016/j.bmcl.2004.03.043 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 16302822 | 10.1021/jm050444b | DNA-dependent protein kinase catalytic subunit | 1 |
| 16290931 | 10.1016/j.bmcl.2005.10.092 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 1 |
Data from ChEMBL 36 via Core Engine