Compound Detail
CHEMBL2012939
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Basic Information
| ChEMBL ID | CHEMBL2012939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUTNALOYVNJHSP-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
4.46
ALogP
4
HBA
4
HBD
80.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RBL-2H3 CHEMBL614632 | IC50 | 10.7 | 10.7 | 0.0 | 1 |
| Sentrin-specific protease 1 CHEMBL1909484 | IC50 | 5.57 | 5.495 | 2710.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RBL-2H3 | IC50 | = | 0.02 | nM | 10.7 | Antiinflammatory activity in rat RBL2H3 cells assessed as inhibition of DNP-BSA-... | 22410084 |
| Sentrin-specific protease 1 | IC50 | = | 2710.0 | nM | 5.57 | Inhibition of full-length recombinant human 6His-tagged SENP1 expressed in Esche... | 27491710 |
| Sentrin-specific protease 1 | IC50 | = | 3760.0 | nM | 5.42 | Inhibition of recombinant human 6His-tagged SENP1 catalytic domain expressed in ... | 27491710 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23791076 | 10.1016/j.bmcl.2013.05.093 | Ubiquitin carboxyl-terminal hydrolase 5 | 3 |
| 27491710 | 10.1016/j.bmcl.2016.07.051 | Sentrin-specific protease 1 | 3 |
| 22410084 | 10.1016/j.bmcl.2012.02.034 | RBL-2H3 | 1 |
| 23791076 | 10.1016/j.bmcl.2013.05.093 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 | 1 |
| 23791076 | 10.1016/j.bmcl.2013.05.093 | Ubiquitin carboxyl-terminal hydrolase 4 | 1 |
Data from ChEMBL 36 via Core Engine