Compound Detail
CHEMBL1471779
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
COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccncc3)S(=O)(=O)c3ccc4ccccc4c3)cc12
Basic Information
| ChEMBL ID | CHEMBL1471779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTCZRKFMXLKHJV-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
500.5
MW (Da)
5.11
ALogP
7
HBA
0
HBD
106.8
PSA (Ų)
0.31
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.32
EC50 1 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 5.39 | 5.39 | 4080.0 | 1 |
| Neuropeptide Y receptor type 1 CHEMBL4777 | IC50 | 5.32 | 5.32 | 4838.0 | 1 |
| Neuropeptide Y receptor type 2 CHEMBL4018 | IC50 | 5.1 | 5.1 | 7936.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein RecA | EC50 | = | 4080.0 | nM | 5.39 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Neuropeptide Y receptor type 1 | IC50 | = | 4838.0 | nM | 5.32 | PUBCHEM_BIOASSAY: Dose response counterscreen for neuropeptide Y receptor Y2 (NP... | - |
| Neuropeptide Y receptor type 2 | IC50 | = | 7936.0 | nM | 5.1 | PUBCHEM_BIOASSAY: Dose response cell-based screening assay for antagonists of ne... | - |
Data from ChEMBL 36 via Core Engine