Compound Detail
CHEMBL5180090
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Basic Information
| ChEMBL ID | CHEMBL5180090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOQIJPHCNFJJTO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
3.08
ALogP
8
HBA
1
HBD
86.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit CHEMBL3142 | IC50 | 9.92 | 8.905 | 0.1 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 30.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 0.12 | nM | 9.92 | Inhibition of DNA-PK (unknown origin) using EPPLSQEAFADLWKK peptide as substrate... | 35978693 |
| DNA-dependent protein kinase catalytic subunit | IC50 | = | 13.0 | nM | 7.89 | Inhibition of DNA-PK in human A549 cells assessed as reduction in irradiation-in... | 35978693 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35978693 | 10.1021/acsmedchemlett.2c00172 | DNA-dependent protein kinase catalytic subunit | 2 |
| 35978693 | 10.1021/acsmedchemlett.2c00172 | No relevant target | 1 |
| 35978693 | 10.1021/acsmedchemlett.2c00172 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine