Compound Detail
CHEMBL1375966
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Basic Information
| ChEMBL ID | CHEMBL1375966 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDGFQSQBTILYNQ-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
2.92
ALogP
8
HBA
0
HBD
103.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.67
EC50 2 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | IC50 | 5.67 | 5.585 | 2120.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.35 | 5.025 | 4480.0 | 2 |
| Protein RecA CHEMBL1741171 | EC50 | 4.84 | 4.84 | 14500.0 | 1 |
| HEK293 CHEMBL614818 | EC50 | 4.84 | 4.84 | 14300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | IC50 | = | 2120.0 | nM | 5.67 | PUBCHEM_BIOASSAY: HTS dose response assay for identification of inhibitors of TN... | - |
| HEK293 | IC50 | = | 3135.0 | nM | 5.5 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| Unchecked | IC50 | = | 4480.0 | nM | 5.35 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| HEK293 | EC50 | = | 14300.0 | nM | 4.84 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| Protein RecA | EC50 | = | 14500.0 | nM | 4.84 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Unchecked | IC50 | = | 19810.0 | nM | 4.7 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
Data from ChEMBL 36 via Core Engine