Compound Detail
CHEMBL1584392
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1ccc(NC(=O)Cn2c(O)c(N=NC(=O)c3cc([N+](=O)[O-])ccc3O)c3ccccc32)cc1
Basic Information
| ChEMBL ID | CHEMBL1584392 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNYQCOQSBMEOFD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
473.4
MW (Da)
4.83
ALogP
8
HBA
3
HBD
159.4
PSA (Ų)
0.21
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein phosphatase 3 CHEMBL2635 | IC50 | 5.16 | 5.025 | 6940.0 | 2 |
| Dual specificity protein phosphatase 6 CHEMBL5511 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein phosphatase 3 | IC50 | = | 6940.0 | nM | 5.16 | PUBCHEM_BIOASSAY: Fluorescent assay for identification of compounds that inhibit... | - |
| Dual specificity protein phosphatase 3 | IC50 | = | 12900.0 | nM | 4.89 | PUBCHEM_BIOASSAY: uHTS absorbance assay for the identification of compounds that... | - |
| Dual specificity protein phosphatase 6 | IC50 | = | 31000.0 | nM | 4.51 | PUBCHEM_BIOASSAY: MKP-3 in vitro HTS assay. (Class of assay: confirmatory) [Rela... | - |
Data from ChEMBL 36 via Core Engine