Compound Detail
CHEMBL1544051
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O=C(CCCCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(C(=O)c2ccco2)CC1
Basic Information
| ChEMBL ID | CHEMBL1544051 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEQFLNAOYNQFAJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
498.6
MW (Da)
2.93
ALogP
8
HBA
1
HBD
110.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Photoreceptor-specific nuclear receptor CHEMBL4374 | IC50 | 5.43 | 5.43 | 3677.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Photoreceptor-specific nuclear receptor | IC50 | = | 3677.0 | nM | 5.43 | PUBCHEM_BIOASSAY: TR-FRET-based biochemical high throughput dose response assay ... | - |
Data from ChEMBL 36 via Core Engine