Compound Detail
CHEMBL595840
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Basic Information
| ChEMBL ID | CHEMBL595840 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCNDUGHNYMJGIW-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
302.3
MW (Da)
3.86
ALogP
4
HBA
0
HBD
48.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Metabotropic glutamate receptor 7 CHEMBL3879 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 6.22 | 5.865 | 607.0 | 2 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.94 | 5.94 | 1140.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.82 | 5.82 | 1510.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | - | - | Rattus norvegicus |
| CL | - | - | Rattus norvegicus |
| F | - | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 7 | IC50 | = | 20.0 | nM | 7.7 | Antagonist activity at rat mGluR7 expressed in CHO cells assessed as inhibition ... | 20005101 |
| Sentrin-specific protease 8 | IC50 | = | 607.0 | nM | 6.22 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Sentrin-specific protease 7 | IC50 | = | 1140.0 | nM | 5.94 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 6 | IC50 | = | 1510.0 | nM | 5.82 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Caspase-3 | IC50 | = | 2400.0 | nM | 5.62 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Sentrin-specific protease 8 | IC50 | = | 3110.0 | nM | 5.51 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20005101 | 10.1016/j.bmcl.2009.11.070 | Rattus norvegicus | 3 |
| 20005101 | 10.1016/j.bmcl.2009.11.070 | Metabotropic glutamate receptor 7 | 1 |
| 20005101 | 10.1016/j.bmcl.2009.11.070 | No relevant target | 1 |
| 28655422 | 10.1016/j.bmcl.2017.06.039 | dCTP pyrophosphatase 1 | 1 |
Data from ChEMBL 36 via Core Engine