Compound Detail
CHEMBL1561505
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Basic Information
| ChEMBL ID | CHEMBL1561505 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFJNVANOCZHTMW-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
128.1
MW (Da)
-0.41
ALogP
5
HBA
3
HBD
86.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 2.92
EC50 1 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 5.03 | 5.03 | 9270.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 2.92 | 2.735 | 1200000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein RecA | EC50 | = | 9270.0 | nM | 5.03 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Unchecked | IC50 | = | 1200000.0 | nM | 2.92 | Inhibition of Mycobacterium tuberculosis Uracil-DNA glycosylase using 5' 32P end... | 37399710 |
| Unchecked | IC50 | = | 2800000.0 | nM | 2.55 | Inhibition of Mycobacterium tuberculosis Uracil-DNA glycosylase using 5'-FAM-CUU... | 37399710 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37399710 | 10.1016/j.ejmech.2023.115604 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine