Compound Detail
CHEMBL1578064
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Basic Information
| ChEMBL ID | CHEMBL1578064 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFBCHLVNXAHMHP-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
4.27
ALogP
5
HBA
3
HBD
87.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.09
IC50 1 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.09 | 5.085 | 8050.0 | 2 |
| Heat shock protein HSP90 CHEMBL2095165 | IC50 | 4.91 | 4.91 | 12229.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 8050.0 | nM | 5.09 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7K ce... | - |
| Unchecked | EC50 | = | 8220.0 | nM | 5.08 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7 cel... | - |
| Heat shock protein HSP90 | IC50 | = | 12229.0 | nM | 4.91 | PUBCHEM_BIOASSAY: Tumor Hsp90 Inhibitors Dose Response Confirmation. (Class of a... | - |
Data from ChEMBL 36 via Core Engine