Compound Detail
CHEMBL1372085
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Basic Information
| ChEMBL ID | CHEMBL1372085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGPNGERSNAXZQI-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
263.3
MW (Da)
3.46
ALogP
3
HBA
1
HBD
72.2
PSA (Ų)
0.32
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.07
IC50 3 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 5.47 | 5.47 | 3356.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.07 | 4.935 | 8474.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.97 | 4.94 | 10730.0 | 2 |
| H4 CHEMBL1075452 | EC50 | 4.9 | 4.9 | 12479.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 10 | IC50 | = | 3356.0 | nM | 5.47 | PUBCHEM_BIOASSAY: Dose response biochemical screening assay for inhibitors of c-... | - |
| Unchecked | EC50 | = | 8474.0 | nM | 5.07 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
| Unchecked | IC50 | = | 10730.0 | nM | 4.97 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Unchecked | IC50 | = | 12200.0 | nM | 4.91 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
| H4 | EC50 | = | 12479.0 | nM | 4.9 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
| Unchecked | EC50 | = | 15727.0 | nM | 4.8 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Acti... | - |
Data from ChEMBL 36 via Core Engine