Compound Detail
CHEMBL1393480
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Basic Information
| ChEMBL ID | CHEMBL1393480 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKVPLCVGALGTGK-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
2.72
ALogP
8
HBA
2
HBD
92.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.62 | 4.9533 | 2410.0 | 3 |
| Heat shock protein HSP90 CHEMBL2095165 | IC50 | 4.97 | 4.97 | 10672.1 | 1 |
| Leucine aminopeptidase CHEMBL1293313 | IC50 | 4.41 | 4.41 | 39180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2410.0 | nM | 5.62 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of T-c... | - |
| Unchecked | IC50 | = | 7430.0 | nM | 5.13 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of T-ce... | - |
| Heat shock protein HSP90 | IC50 | = | 10672.1 | nM | 4.97 | PUBCHEM_BIOASSAY: Tumor Hsp90 Inhibitors Dose Response Confirmation. (Class of a... | - |
| Leucine aminopeptidase | IC50 | = | 39180.0 | nM | 4.41 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M17- Family Leucine Aminop... | - |
| Unchecked | IC50 | = | 77900.0 | nM | 4.11 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of T-cel... | - |
Data from ChEMBL 36 via Core Engine