Compound Detail
CHEMBL5803526
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CS(=O)(=O)Nc1ccc(OCC(=O)N2CCc3nc4sccn4c3C2c2ccc(Cl)cc2F)c(Cl)n1
Basic Information
| ChEMBL ID | CHEMBL5803526 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJWVGOSOHNCYEE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
570.5
MW (Da)
4.16
ALogP
8
HBA
1
HBD
105.9
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tryptophan 5-hydroxylase 1 CHEMBL5689 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tryptophan 5-hydroxylase 1 | IC50 | = | 3.0 | nM | 8.52 | Biochemical In Vitro Assay: To generate the enzyme, full length human TPH1 is cl... | - |
Data from ChEMBL 36 via Core Engine