Compound Detail
CHEMBL1381644
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Basic Information
| ChEMBL ID | CHEMBL1381644 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQVVFKIVIFJKLA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
159.2
MW (Da)
1.40
ALogP
3
HBA
2
HBD
64.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP90 CHEMBL2095165 | IC50 | 5.47 | 5.47 | 3380.9 | 1 |
| Bcl-2-related protein A1 CHEMBL1293239 | IC50 | 5.46 | 5.46 | 3490.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP90 | IC50 | = | 3380.9 | nM | 5.47 | PUBCHEM_BIOASSAY: Tumor Hsp90 Inhibitors Dose Response Confirmation. (Class of a... | - |
| Bcl-2-related protein A1 | IC50 | = | 3491.2 | nM | 5.46 | PUBCHEM_BIOASSAY: HTS discovery of chemical inhibitors of anti-apoptotic protein... | - |
| Bcl-2-related protein A1 | IC50 | = | 3490.0 | nM | 5.46 | PUBCHEM_BIOASSAY: TR-FRET secondary assay for HTS discovery of chemical inhibito... | - |
Data from ChEMBL 36 via Core Engine