Compound Detail
CHEMBL3191015
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Basic Information
| ChEMBL ID | CHEMBL3191015 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGFSSBKDFGKCSU-CNHKJKLMSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
470.1
MW (Da)
4.05
ALogP
7
HBA
3
HBD
83.5
PSA (Ų)
0.31
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 5.62 | 5.62 | 2390.0 | 1 |
| Dual specificity protein phosphatase 6 CHEMBL5511 | IC50 | 4.04 | 4.04 | 90300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein phosphatase 3 | IC50 | = | 2390.0 | nM | 5.62 | PUBCHEM_BIOASSAY: Fluorescent assay for identification of compounds that inhibit... | - |
| Dual specificity protein phosphatase 6 | IC50 | = | 90300.0 | nM | 4.04 | PUBCHEM_BIOASSAY: MKP-3 in vitro HTS assay. (Class of assay: confirmatory) [Rela... | - |
Data from ChEMBL 36 via Core Engine