Compound Detail
CHEMBL1467655
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Basic Information
| ChEMBL ID | CHEMBL1467655 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTIHLJJOEVXLFE-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
4.69
ALogP
5
HBA
2
HBD
66.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.26
IC50 3 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.26 | 6.0267 | 555.0 | 3 |
| PC-3M CHEMBL4296484 | IC50 | 6.08 | 6.08 | 830.0 | 2 |
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 4.62 | 4.62 | 23800.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.4183 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 555.0 | nM | 6.26 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 637.0 | nM | 6.2 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| PC-3M | IC50 | = | 830.0 | nM | 6.08 | Anticancer activity in human PC-3M cells expressing PTB/GFP fusion protein asses... | 35696646 |
| PC-3M | IC50 | = | 831.76 | nM | 6.08 | Anticancer activity in human PC-3M cells expressing PTB/GFP fusion protein asses... | 35696646 |
| Unchecked | EC50 | = | 2424.0 | nM | 5.62 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 23800.0 | nM | 4.62 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35696646 | 10.1021/acs.jmedchem.2c00204 | PC-3M | 2 |
| 35696646 | 10.1021/acs.jmedchem.2c00204 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine