Compound Detail
CHEMBL1373992
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Basic Information
| ChEMBL ID | CHEMBL1373992 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTMBJEKDTRNUDZ-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
238.1
MW (Da)
2.60
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.24
IC50 2 meas. best 6.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.18 | 5.995 | 660.0 | 2 |
| BJ CHEMBL614358 | EC50 | 5.24 | 5.24 | 5730.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 5.05 | 5.05 | 8930.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.56 | 4.56 | 27639.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 660.0 | nM | 6.18 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Unchecked | IC50 | = | 1540.0 | nM | 5.81 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
| BJ | EC50 | = | 5730.0 | nM | 5.24 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Protein RecA | EC50 | = | 8930.0 | nM | 5.05 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Unchecked | EC50 | = | 27639.0 | nM | 4.56 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
Data from ChEMBL 36 via Core Engine