Compound Detail
CHEMBL1323536
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O=C(NCc1cccnc1)/C(=C\c1ccc(-c2ccc(Br)cc2)o1)S(=O)(=O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL1323536 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTMSTXDOHAMGPC-BUVRLJJBSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
523.4
MW (Da)
5.24
ALogP
5
HBA
1
HBD
89.3
PSA (Ų)
0.34
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.18
IC50 2 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 5.37 | 5.37 | 4250.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 5.24 | 5.24 | 5720.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.18 | 5.18 | 6670.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 4.7 | 4.7 | 20200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 4250.0 | nM | 5.37 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 5720.0 | nM | 5.24 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Unchecked | EC50 | = | 6670.0 | nM | 5.18 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Protein RecA | EC50 | = | 20200.0 | nM | 4.7 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
Data from ChEMBL 36 via Core Engine