Compound Detail
CHEMBL1989549
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Basic Information
| ChEMBL ID | CHEMBL1989549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZMGCPISDHCDHC-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
388.9
MW (Da)
4.15
ALogP
5
HBA
1
HBD
83.1
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 4.48 | 4.48 | 33220.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 4.45 | 4.36 | 35330.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 33220.0 | nM | 4.48 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of tim23-1 yeast via... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 35330.0 | nM | 4.45 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of tim23-1: a lumine... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 53420.0 | nM | 4.27 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of tim23-1: a lumine... | - |
Data from ChEMBL 36 via Core Engine