Compound Detail
CHEMBL1572827
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Basic Information
| ChEMBL ID | CHEMBL1572827 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALFOLCNABIRFNY-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
457.6
MW (Da)
3.87
ALogP
8
HBA
1
HBD
71.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.97
EC50 2 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.51 | 5.51 | 3110.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 4.97 | 4.97 | 10598.0 | 1 |
| Insulin-degrading enzyme CHEMBL1293287 | EC50 | 4.6 | 4.6 | 25196.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.27 | 4.27 | 53270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 3110.0 | nM | 5.51 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| HEK293 | IC50 | = | 10598.0 | nM | 4.97 | PUBCHEM_BIOASSAY: Counterscreen for activators of insulin-degrading enzyme (IDE)... | - |
| Insulin-degrading enzyme | EC50 | = | 25196.0 | nM | 4.6 | PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-ba... | - |
| Unchecked | IC50 | = | 53270.0 | nM | 4.27 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
Data from ChEMBL 36 via Core Engine