Compound Detail
CHEMBL1338595
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Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)C3c3ccc(O)cc3)sc2c1.O=C(O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1338595 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJURTJAGVQFLOM-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1618302 |
| Active Moiety | CHEMBL1618302 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
4.69
ALogP
7
HBA
2
HBD
103.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NS3 CHEMBL1293269 | IC50 | 5.47 | 5.47 | 3420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NS3 | IC50 | = | 3420.0 | nM | 5.47 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
Data from ChEMBL 36 via Core Engine