Compound Detail
CHEMBL1430796
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 | CHEMBL1430796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOBIKIYRRVBZLV-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
3.26
ALogP
10
HBA
1
HBD
108.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.38
EC50 1 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 5.38 | 5.38 | 4120.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 4.94 | 4.94 | 11600.0 | 1 |
| Hexokinase-1 CHEMBL2688 | EC50 | 4.43 | 4.43 | 37400.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 4.26 | 4.26 | 54700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 4120.0 | nM | 5.38 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 11600.0 | nM | 4.94 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Hexokinase-1 | EC50 | = | 37400.0 | nM | 4.43 | PUBCHEM_BIOASSAY: Dose Response confirmation of activators of hexokinase domain ... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 54700.0 | nM | 4.26 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3G DNA Deam... | - |
Data from ChEMBL 36 via Core Engine