Compound Detail
CHEMBL1241028
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Basic Information
| ChEMBL ID | CHEMBL1241028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDLAOWFFKWRNHB-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
283.9
MW (Da)
4.07
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase isozyme L3 CHEMBL6195 | IC50 | 6.22 | 6.22 | 600.0 | 2 |
| MUS81-ECE1 CHEMBL5465380 | IC50 | 5.74 | 5.74 | 1840.0 | 1 |
| Ubiquitin carboxyl-terminal hydrolase isozyme L1 CHEMBL6159 | IC50 | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase isozyme L3 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of UCHL3 in human H1299 cells | 17948018 |
| Ubiquitin carboxyl-terminal hydrolase isozyme L3 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of recombinant human UCHL3 expressed in baculovirus infected Sf9 cell... | 34752952 |
| MUS81-ECE1 | IC50 | = | 1840.0 | nM | 5.74 | Inhibition of human GST-tagged MUS81-ECE1 expressed in Escherichia coli BL21(DE3... | 37352577 |
| Ubiquitin carboxyl-terminal hydrolase isozyme L1 | IC50 | = | 75000.0 | nM | 4.12 | Inhibition of UCHL1 in human H1299 cells | 17948018 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 35427739 | 10.1016/j.bmcl.2022.128732 | Replicase polyprotein 1ab | 2 |
| 17948018 | 10.1038/nchembio.2007.43 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 | 1 |
| 17948018 | 10.1038/nchembio.2007.43 | Ubiquitin carboxyl-terminal hydrolase isozyme L3 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 34752952 | 10.1016/j.ejmech.2021.113970 | Ubiquitin carboxyl-terminal hydrolase isozyme L3 | 1 |
| 37352577 | 10.1016/j.bmc.2023.117383 | MUS81-ECE1 | 1 |
Data from ChEMBL 36 via Core Engine