Compound Detail
CHEMBL1578982
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(S(=O)(=O)N[C@H](C(=O)Oc2ccc3c(C(F)(F)F)cc(=O)oc3c2)c2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL1578982 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNLCQIISQBEMGB-QHCPKHFHSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
517.5
MW (Da)
4.75
ALogP
6
HBA
1
HBD
102.7
PSA (Ų)
0.23
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta Lactamase CHEMBL1293246 | IC50 | 5.43 | 5.43 | 3732.0 | 1 |
| Female germline-specific tumor suppressor gld-1 CHEMBL1293302 | IC50 | 5.41 | 5.41 | 3885.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.17 | 5.17 | 6747.0 | 1 |
| Protein Rev CHEMBL1293282 | IC50 | 4.57 | 4.57 | 26862.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta Lactamase | IC50 | = | 3732.0 | nM | 5.43 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescen... | - |
| Female germline-specific tumor suppressor gld-1 | IC50 | = | 3885.0 | nM | 5.41 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| Toll-like receptor 9 | IC50 | = | 6747.0 | nM | 5.17 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
| Protein Rev | IC50 | = | 26862.0 | nM | 4.57 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of gld-1: Fluorescence polarizati... | - |
Data from ChEMBL 36 via Core Engine