Compound Detail
CHEMBL5095186
KSQ-4279 Enter ChEMBL ID:
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COc1ncnc(C2CC2)c1-c1ncc2cnn(Cc3ccc(-c4nc(C(F)(F)F)cn4C(C)C)cc3)c2n1
Basic Information
| ChEMBL ID | CHEMBL5095186 |
| Name | KSQ-4279 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCBWAFJCKVKYHO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
534.5
MW (Da)
5.68
ALogP
9
HBA
0
HBD
96.4
PSA (Ų)
0.27
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 1 CHEMBL1795087 | IC50 | 7.96 | 7.61 | 11.0 | 2 |
| Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48 CHEMBL3430885 | IC50 | 7.67 | 7.67 | 21.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 1 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of USP1 (unknown origin) | 38955347 |
| Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48 | IC50 | = | 21.3 | nM | 7.67 | Inhibition of USP1-UAF1 complex (unknown origin) using Ub-7-amido-4-methylcoumar... | 38889606 |
| Ubiquitin carboxyl-terminal hydrolase 1 | IC50 | = | 55.0 | nM | 7.26 | Inhibitor Assay: Deubiquitinase activity was measured using ubiquitin-rhodamine ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39190802 | 10.1021/acs.jmedchem.4c01184 | Ubiquitin carboxyl-terminal hydrolase 1 | 11 |
| 38889606 | 10.1016/j.ejmech.2024.116568 | Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48 | 3 |
| 38955347 | 10.1021/acs.jmedchem.4c00113 | Ubiquitin carboxyl-terminal hydrolase 1 | 1 |
| 38889606 | 10.1016/j.ejmech.2024.116568 | MDA-MB-436 | 1 |
| 39190802 | 10.1021/acs.jmedchem.4c01184 | Unchecked | 1 |
| 39190802 | 10.1021/acs.jmedchem.4c01184 | Ubiquitin carboxyl-terminal hydrolase 12 | 1 |
| 39190802 | 10.1021/acs.jmedchem.4c01184 | Ubiquitin carboxyl-terminal hydrolase 46 | 1 |
| 39190802 | 10.1021/acs.jmedchem.4c01184 | Ubiquitin carboxyl-terminal hydrolase 11 | 1 |
Data from ChEMBL 36 via Core Engine