Compound Detail
CHEMBL3678088
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C[C@@H](NC(=O)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1)c1ccc([N+](=O)[O-])cc1
Basic Information
| ChEMBL ID | CHEMBL3678088 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIZXDBJRSMOKCY-OAHLLOKOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
435.4
MW (Da)
5.37
ALogP
4
HBA
1
HBD
77.2
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 31.0 | nM | 7.51 | Lanthascreen Competitive Binding Assay: The assay was performed according to man... | - |
Data from ChEMBL 36 via Core Engine