Compound Detail
CHEMBL298210
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O=C(CCCCC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
Basic Information
| ChEMBL ID | CHEMBL298210 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSIWMUKTEQBIHO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
528.6
MW (Da)
6.91
ALogP
4
HBA
4
HBD
115.6
PSA (Ų)
0.15
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NS3 CHEMBL1293269 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NS3 | IC50 | = | 700.0 | nM | 6.16 | Inhibitory concentration against hepatitis C virus helicase | 15633995 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11425528 | 10.1016/s0960-894x(01)00263-3 | NS3 | 1 |
| 15633995 | 10.1021/jm0400101 | NS3 | 1 |
Data from ChEMBL 36 via Core Engine