Compound Detail
CHEMBL1380580
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Basic Information
| ChEMBL ID | CHEMBL1380580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNURNSSOMKOWIM-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
255.2
MW (Da)
4.43
ALogP
3
HBA
2
HBD
60.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sentrin-specific protease 8 CHEMBL1741207 | IC50 | 6.05 | 5.78 | 888.0 | 2 |
| Sentrin-specific protease 7 CHEMBL1741213 | IC50 | 5.82 | 5.82 | 1510.0 | 1 |
| Sentrin-specific protease 6 CHEMBL1741215 | IC50 | 5.69 | 5.69 | 2030.0 | 1 |
| Caspase-3 CHEMBL2334 | IC50 | 5.12 | 5.12 | 7580.0 | 1 |
| DNA (cytosine-5)-methyltransferase 1 CHEMBL1993 | IC50 | 4.71 | 4.71 | 19300.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.69 | 4.69 | 20400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sentrin-specific protease 8 | IC50 | = | 888.0 | nM | 6.05 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| Sentrin-specific protease 7 | IC50 | = | 1510.0 | nM | 5.82 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 6 | IC50 | = | 2030.0 | nM | 5.69 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Sentrin-specific protease 8 | IC50 | = | 3070.0 | nM | 5.51 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-s... | - |
| Caspase-3 | IC50 | = | 7580.0 | nM | 5.12 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific p... | - |
| DNA (cytosine-5)-methyltransferase 1 | IC50 | = | 19300.0 | nM | 4.71 | PUBCHEM_BIOASSAY: Dose response confirmation of DNMT1 inhibitors in a Fluorescen... | - |
| Unchecked | IC50 | = | 20400.0 | nM | 4.69 | PUBCHEM_BIOASSAY: Dose response validation of uHTS inhibitor hits from DNMT1 for... | - |
Data from ChEMBL 36 via Core Engine