Compound Detail
CHEMBL1597458
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Cl.O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
Basic Information
| ChEMBL ID | CHEMBL1597458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MUTVDBWBBMANIU-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1625653 |
| Active Moiety | CHEMBL1625653 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
533.6
MW (Da)
3.76
ALogP
6
HBA
3
HBD
132.9
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein CHEMBL3885546 | EC50 | 5.74 | 5.74 | 1830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein | EC50 | = | 1830.0 | nM | 5.74 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule ago... | - |
Data from ChEMBL 36 via Core Engine