Compound Detail
CHEMBL1371138
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Basic Information
| ChEMBL ID | CHEMBL1371138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKFSOTRFUFUSTP-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
2.74
ALogP
6
HBA
1
HBD
108.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.74
EC50 1 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.37 | 6.37 | 431.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 5.74 | 5.34 | 1820.0 | 2 |
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 5.05 | 5.05 | 8890.0 | 1 |
| Melanin-concentrating hormone receptor 1 CHEMBL344 | IC50 | 4.19 | 4.19 | 64407.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 431.0 | nM | 6.37 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 1820.0 | nM | 5.74 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 8890.0 | nM | 5.05 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 11500.0 | nM | 4.94 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Melanin-concentrating hormone receptor 1 | IC50 | = | 64407.0 | nM | 4.19 | PUBCHEM_BIOASSAY: Fluorescence-based counterscreen for antagonists of the G-prot... | - |
Data from ChEMBL 36 via Core Engine