Compound Detail
CHEMBL1526405
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1526405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXCNJRIUQVTTPS-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
212.2
MW (Da)
3.00
ALogP
3
HBA
1
HBD
33.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.57
IC50 2 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.57 | 5.4867 | 270.0 | 3 |
| Bcl-2-related protein A1 CHEMBL1293239 | IC50 | 5.26 | 5.26 | 5440.0 | 1 |
| Heat shock protein HSP90 CHEMBL2095165 | IC50 | 5.08 | 5.08 | 8363.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 270.0 | nM | 6.57 | PubChem BioAssay. Leishmania major promastigote EC50 determinations. (Class of... | - |
| Bcl-2-related protein A1 | IC50 | = | 5440.0 | nM | 5.26 | PUBCHEM_BIOASSAY: HTS discovery of chemical inhibitors of anti-apoptotic protein... | - |
| Heat shock protein HSP90 | IC50 | = | 8363.1 | nM | 5.08 | PUBCHEM_BIOASSAY: Tumor Hsp90 Inhibitors Dose Response Confirmation. (Class of a... | - |
| Unchecked | EC50 | = | 9740.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7K ce... | - |
| Unchecked | EC50 | = | 13030.0 | nM | 4.88 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HPDE-C7 cel... | - |
Data from ChEMBL 36 via Core Engine