Compound Detail
CHEMBL2006198
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Basic Information
| ChEMBL ID | CHEMBL2006198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKMZIFLIUNKSLZ-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
300.4
MW (Da)
4.10
ALogP
4
HBA
1
HBD
42.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.13
Ki 2 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transmembrane domain-containing protein TMIGD3 CHEMBL3712907 | Ki | 6.42 | 6.42 | 380.2 | 1 |
| Adenosine receptor A1 CHEMBL226 | Ki | 5.55 | 5.55 | 2818.4 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 4.13 | 4.115 | 74590.0 | 2 |
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 4.12 | 4.12 | 75670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transmembrane domain-containing protein TMIGD3 | Ki | = | 380.19 | nM | 6.42 | Displacement of CA200645 from human adenosine A3 receptor expressed in CHO CRE-S... | 26592528 |
| Adenosine receptor A1 | Ki | = | 2818.38 | nM | 5.55 | Displacement of CA200645 from human adenosine A1 receptor expressed in CHO cells... | 26592528 |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 74590.0 | nM | 4.13 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of tim23-1: a lumine... | - |
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 75670.0 | nM | 4.12 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of tim23-1 yeast via... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 79550.0 | nM | 4.1 | PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of tim23-1: a lumine... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26592528 | 10.1021/acs.jmedchem.5b01120 | Transmembrane domain-containing protein TMIGD3 | 1 |
| 26592528 | 10.1021/acs.jmedchem.5b01120 | Adenosine receptor A1 | 1 |
| 26592528 | 10.1021/acs.jmedchem.5b01120 | Adenosine receptors; A1 & A3 | 1 |
Data from ChEMBL 36 via Core Engine