Compound Detail
CHEMBL1501376
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Basic Information
| ChEMBL ID | CHEMBL1501376 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZCTZEQRPXUHPT-MDWZMJQESA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
287.7
MW (Da)
3.92
ALogP
4
HBA
0
HBD
51.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.28
EC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.28 | 5.075 | 5220.0 | 2 |
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit CHEMBL2164 | IC50 | 5.16 | 5.16 | 6859.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | IC50 | 5.09 | 5.09 | 8054.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.0 | 5.0 | 9980.0 | 1 |
| Protein skinhead-1 CHEMBL2146298 | IC50 | 4.21 | 4.21 | 62250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5220.0 | nM | 5.28 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Serine/threonine-protein phosphatase PP1-alpha catalytic subunit | IC50 | = | 6859.0 | nM | 5.16 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Melanocortin receptor 4 | IC50 | = | 8054.0 | nM | 5.09 | PUBCHEM_BIOASSAY: TRFRET-based cell-based high throughput dose response assay fo... | - |
| Unchecked | EC50 | = | 9980.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Unchecked | IC50 | = | 13427.0 | nM | 4.87 | PUBCHEM_BIOASSAY: Counterscreen for biased ligands (antagonists) of the melanoco... | - |
| Protein skinhead-1 | IC50 | = | 62250.0 | nM | 4.21 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
Data from ChEMBL 36 via Core Engine