Compound Detail
CHEMBL1335988
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 | CHEMBL1335988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSHDZDBLOAGRBW-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
4.19
ALogP
4
HBA
0
HBD
62.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 5.52 | 5.365 | 2990.0 | 2 |
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 5.25 | 5.25 | 5660.0 | 1 |
| X-box-binding protein 1 CHEMBL1741176 | IC50 | 5.21 | 5.21 | 6140.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 4.62 | 4.62 | 24063.1 | 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 | = | 2990.0 | nM | 5.52 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 5660.0 | nM | 5.25 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| X-box-binding protein 1 | IC50 | = | 6140.0 | nM | 5.21 | PUBCHEM_BIOASSAY: XBP1 DR counterscreen for CHOP. (Class of assay: confirmatory)... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 6100.0 | nM | 5.21 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 24063.12 | nM | 4.62 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
Data from ChEMBL 36 via Core Engine