Compound Detail
CHEMBL1344136
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 | CHEMBL1344136 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMLCRHOHOXICIB-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
231.3
MW (Da)
2.53
ALogP
4
HBA
1
HBD
30.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.11
IC50 1 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Disabled homolog 2-interacting protein CHEMBL4523330 | Ki | 6.11 | 6.11 | 779.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.11 | 6.11 | 779.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 5.36 | 5.36 | 4330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Disabled homolog 2-interacting protein | Ki | = | 779.0 | nM | 6.11 | Binding affinity to human Dab2 DH domain (33 to 191 residues) expressed in Esche... | - |
| Unchecked | Ki | = | 779.0 | nM | 6.11 | Fluorescence Polarization Assay: Fluorescence polarization (FP) data were measur... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 4330.0 | nM | 5.36 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3G DNA Deam... | - |
Data from ChEMBL 36 via Core Engine