Compound Detail
CHEMBL3190629
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Basic Information
| ChEMBL ID | CHEMBL3190629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFZSMDVUUHMSJC-UKWGHVSLSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
1.56
ALogP
5
HBA
1
HBD
42.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.44 | 5.355 | 3640.0 | 2 |
| Apoptotic protease-activating factor 1 CHEMBL1795093 | IC50 | 5.31 | 5.31 | 4940.0 | 1 |
| Heat shock protein HSP90 CHEMBL2095165 | IC50 | 5.19 | 5.19 | 6407.9 | 1 |
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 4.56 | 4.56 | 27610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3640.0 | nM | 5.44 | PubChem BioAssay. Dose Response confirmation of small molecule inhibitors origin... | - |
| Apoptotic protease-activating factor 1 | IC50 | = | 4940.0 | nM | 5.31 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluore... | - |
| Unchecked | IC50 | = | 5370.0 | nM | 5.27 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 using a LZ-... | - |
| Heat shock protein HSP90 | IC50 | = | 6407.9 | nM | 5.19 | PUBCHEM_BIOASSAY: Tumor Hsp90 Inhibitors Dose Response Confirmation. (Class of a... | - |
| Mannose-6-phosphate isomerase | IC50 | = | 27610.0 | nM | 4.56 | PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isom... | - |
Data from ChEMBL 36 via Core Engine