Compound Detail
CHEMBL1601281
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Basic Information
| ChEMBL ID | CHEMBL1601281 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QNGPKBTZYMVTCH-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
293.3
MW (Da)
3.81
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.13
IC50 1 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 7.13 | 7.13 | 74.4 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.88 | 4.88 | 13110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein RecA | EC50 | = | 74.4 | nM | 7.13 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Unchecked | IC50 | = | 13110.0 | nM | 4.88 | PUBCHEM_BIOASSAY: A biochemical assay using the ADP-Hunter methodology, purified... | - |
Data from ChEMBL 36 via Core Engine