Compound Detail
CHEMBL1309430
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Basic Information
| ChEMBL ID | CHEMBL1309430 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBPLHURIVUXONI-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
463.5
MW (Da)
3.66
ALogP
8
HBA
2
HBD
114.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.21
Ki 1 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| fMet-Leu-Phe receptor CHEMBL3359 | Ki | 4.47 | 4.47 | 34100.0 | 1 |
| Tyrosine-protein phosphatase non-receptor type 22 CHEMBL2889 | IC50 | 4.21 | 4.185 | 61947.0 | 2 |
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 4.16 | 4.16 | 69263.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| fMet-Leu-Phe receptor | Ki | = | 34100.0 | nM | 4.47 | PubChem BioAssay. Dose Response Assay for Formylpeptide Receptor (FPR) Ligands a... | - |
| Tyrosine-protein phosphatase non-receptor type 22 | IC50 | = | 61947.0 | nM | 4.21 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Tyrosine-protein phosphatase non-receptor type 22 | IC50 | = | 68933.0 | nM | 4.16 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 69263.0 | nM | 4.16 | PUBCHEM_BIOASSAY: Dose Response confirmation of HTS hits from an HePTP Fluoresce... | - |
Data from ChEMBL 36 via Core Engine