Compound Detail
CHEMBL246655
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Basic Information
| ChEMBL ID | CHEMBL246655 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVFRJCXNTHXSOG-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
287.3
MW (Da)
3.58
ALogP
4
HBA
2
HBD
82.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 5.54 | 5.395 | 2900.0 | 2 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 5.36 | 5.36 | 4410.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 5.34 | 5.11 | 4520.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 2900.0 | nM | 5.54 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of tim23-1 yeast via... | - |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 4410.0 | nM | 5.36 | Inhibition of Pim1 kinase | 17251021 |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 4520.0 | nM | 5.34 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of tim23-1: a lumine... | - |
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 5580.0 | nM | 5.25 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 9910.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 10300.0 | nM | 4.99 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of tim23-1: a lumine... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17251021 | 10.1016/j.bmcl.2006.12.086 | Serine/threonine-protein kinase pim-1 | 1 |
Data from ChEMBL 36 via Core Engine