Compound Detail
CHEMBL1313900
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Basic Information
| ChEMBL ID | CHEMBL1313900 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJGFIJSOTGXACX-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
336.3
MW (Da)
3.15
ALogP
5
HBA
0
HBD
65.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.61
EC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP90 CHEMBL2095165 | IC50 | 5.61 | 5.61 | 2462.0 | 1 |
| Protein RecA CHEMBL1741171 | EC50 | 5.6 | 5.6 | 2510.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.02 | 5.02 | 9540.0 | 1 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 4.94 | 4.94 | 11600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP90 | IC50 | = | 2462.0 | nM | 5.61 | PUBCHEM_BIOASSAY: Tumor Hsp90 Inhibitors Dose Response Confirmation. (Class of a... | - |
| Protein RecA | EC50 | = | 2510.0 | nM | 5.6 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Unchecked | IC50 | = | 9540.0 | nM | 5.02 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 using a LZ-... | - |
| Apoptotic protease-activating factor 1 | IC50 | = | 11600.0 | nM | 4.94 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluore... | - |
Data from ChEMBL 36 via Core Engine