Compound Detail
CHEMBL1572588
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Basic Information
| ChEMBL ID | CHEMBL1572588 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEWBGMHSKOIZCC-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
446.3
MW (Da)
4.11
ALogP
3
HBA
2
HBD
78.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.18
IC50 1 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | IC50 | 5.36 | 5.36 | 4361.0 | 1 |
| Neuropeptide Y receptor type 2 CHEMBL4018 | EC50 | 5.18 | 5.18 | 6575.0 | 1 |
| Endoribonuclease toxin MazF CHEMBL1795096 | EC50 | 5.15 | 4.86 | 7090.0 | 2 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | EC50 | 5.13 | 5.13 | 7410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | IC50 | = | 4361.0 | nM | 5.36 | PUBCHEM_BIOASSAY: Fluorescence-based counterscreen for potentiators or agonists ... | - |
| Neuropeptide Y receptor type 2 | EC50 | = | 6575.0 | nM | 5.18 | PUBCHEM_BIOASSAY: Fluorescence-based counterscreen for agonists of NPY-Y1: cell-... | - |
| Endoribonuclease toxin MazF | EC50 | = | 7090.0 | nM | 5.15 | PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activ... | - |
| Neuropeptide Y receptor type 1 | EC50 | = | 7410.0 | nM | 5.13 | PUBCHEM_BIOASSAY: Fluorescence-based dose response cell-based high-throughput sc... | - |
| Endoribonuclease toxin MazF | EC50 | = | 26900.0 | nM | 4.57 | PUBCHEM_BIOASSAY: SAR analysis of small molecule activators of the MazEF TA Syst... | - |
Data from ChEMBL 36 via Core Engine