Compound Detail
CHEMBL1371175
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Basic Information
| ChEMBL ID | CHEMBL1371175 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGIJPZDUXLSZJI-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
293.3
MW (Da)
3.89
ALogP
3
HBA
2
HBD
63.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.26
IC50 2 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methyl-CpG-binding protein 2 CHEMBL3638346 | IC50 | 5.55 | 5.55 | 2810.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.26 | 4.96 | 5479.0 | 2 |
| H4 CHEMBL1075452 | EC50 | 4.67 | 4.67 | 21211.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 4.4 | 4.4 | 40100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methyl-CpG-binding protein 2 | IC50 | = | 2810.0 | nM | 5.55 | Binding Assay: DNA binding assays using recombinant MBDs. To produce recombinant... | - |
| Unchecked | EC50 | = | 5479.0 | nM | 5.26 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
| H4 | EC50 | = | 21211.0 | nM | 4.67 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
| Unchecked | EC50 | = | 21673.0 | nM | 4.66 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Acti... | - |
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 40100.0 | nM | 4.4 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
Data from ChEMBL 36 via Core Engine