Compound Detail
CHEMBL1303719
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Nc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)sc2nc3ccc(OC(F)(F)F)cc3cc12
Basic Information
| ChEMBL ID | CHEMBL1303719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIPLTGVEHGYRQM-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
536.6
MW (Da)
4.97
ALogP
7
HBA
2
HBD
114.6
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 5.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.69 | 5.318 | 2049.0 | 5 |
| G-protein coupled receptor 55 CHEMBL1075322 | EC50 | 5.42 | 5.42 | 3772.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 2049.0 | nM | 5.69 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| G-protein coupled receptor 55 | EC50 | = | 3772.13 | nM | 5.42 | PUBCHEM_BIOASSAY: Image-based HTS for Selective Agonists of GPR55. (Class of ass... | - |
| Unchecked | EC50 | = | 4124.0 | nM | 5.38 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Unchecked | EC50 | = | 4390.0 | nM | 5.36 | PUBCHEM_BIOASSAY: Dose response counterscreen for uHTS small molecule activators... | - |
| Unchecked | EC50 | = | 5706.0 | nM | 5.24 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Unchecked | EC50 | = | 12000.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
Data from ChEMBL 36 via Core Engine