Compound Detail
CHEMBL1606613
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Basic Information
| ChEMBL ID | CHEMBL1606613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MABPZKJJTICMDB-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
332.3
MW (Da)
2.57
ALogP
5
HBA
0
HBD
69.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.04
IC50 1 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.04 | 5.04 | 9210.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Signal transducer and activator of transcription 3 CHEMBL4026 | IC50 | 4.5 | 4.5 | 31790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 9210.0 | nM | 5.04 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Protein RecA | EC50 | = | 10000.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Signal transducer and activator of transcription 3 | IC50 | = | 31790.0 | nM | 4.5 | PUBCHEM_BIOASSAY: Dose response counterscreen for STAT1 inhibitors: cell-based h... | - |
Data from ChEMBL 36 via Core Engine