Compound Detail
CHEMBL1548770
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Basic Information
| ChEMBL ID | CHEMBL1548770 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZESRDLHBLPEJF-LDADJPATSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
453.6
MW (Da)
3.60
ALogP
8
HBA
1
HBD
76.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.1
EC50 1 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-degrading enzyme CHEMBL1293287 | IC50 | 5.1 | 5.1 | 7987.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 4.9 | 4.9 | 12700.0 | 1 |
| Beta-galactosidase CHEMBL1293264 | EC50 | 4.88 | 4.88 | 13050.0 | 1 |
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 4.61 | 4.61 | 24400.0 | 1 |
| 72 kDa type IV collagenase CHEMBL333 | IC50 | 4.21 | 4.21 | 62400.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 4.17 | 4.17 | 68100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-degrading enzyme | IC50 | = | 7987.0 | nM | 5.1 | PUBCHEM_BIOASSAY: Dose Response: Fluorescence polarization-based cell-based high... | - |
| Kappa-type opioid receptor | IC50 | = | 12700.0 | nM | 4.9 | PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the kappa... | - |
| Beta-galactosidase | EC50 | = | 13050.0 | nM | 4.88 | PUBCHEM_BIOASSAY: HTS Dose response counterscreen for assays utilizing the enzym... | - |
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 24400.0 | nM | 4.61 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| 72 kDa type IV collagenase | IC50 | = | 62400.0 | nM | 4.21 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| Prothrombin | IC50 | = | 68100.0 | nM | 4.17 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
Data from ChEMBL 36 via Core Engine