Compound Detail
CHEMBL1307313
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CC1(C)Cc2nc3sc4c(=O)n(CC(=O)NC(c5ccccc5)c5ccccc5)cnc4c3cc2CO1
Basic Information
| ChEMBL ID | CHEMBL1307313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRZMVSYUKNSXCP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
510.6
MW (Da)
4.76
ALogP
7
HBA
1
HBD
86.1
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 CHEMBL2096976 | IC50 | 5.71 | 5.71 | 1944.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 | IC50 | = | 1944.0 | nM | 5.71 | PUBCHEM_BIOASSAY: Counterscreen for agonists of nuclear receptor subfamily 2, gr... | - |
Data from ChEMBL 36 via Core Engine