Compound Detail
CHEMBL1392552
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1392552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTANJBBCJPIRSD-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
261.3
MW (Da)
4.57
ALogP
3
HBA
2
HBD
37.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.22
EC50 1 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 5.22 | 5.035 | 5970.0 | 2 |
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 5.04 | 5.04 | 9110.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | EC50 | 4.43 | 4.43 | 37000.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 4.18 | 4.18 | 65400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 5970.0 | nM | 5.22 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 9110.0 | nM | 5.04 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 14200.0 | nM | 4.85 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Alkaline phosphatase, germ cell type | EC50 | = | 37000.0 | nM | 4.43 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical activators of ... | - |
| Alkaline phosphatase, germ cell type | IC50 | = | 65400.0 | nM | 4.18 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical inhibitors of ... | - |
Data from ChEMBL 36 via Core Engine