Compound Detail
CHEMBL1526067
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Basic Information
| ChEMBL ID | CHEMBL1526067 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTLYTJKMYQFECQ-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
269.2
MW (Da)
3.20
ALogP
5
HBA
0
HBD
99.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.93
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 5.93 | 5.93 | 1170.0 | 1 |
| H4 CHEMBL1075452 | EC50 | 4.5 | 4.5 | 32020.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 200.0 | nM | 6.7 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
| Protein RecA | EC50 | = | 1170.0 | nM | 5.93 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| H4 | EC50 | = | 32020.0 | nM | 4.5 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
Data from ChEMBL 36 via Core Engine