Compound Detail
CHEMBL6062344
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O=C(Nc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2cccnc2)c2ccsc2)cc1)C1CC1
Basic Information
| ChEMBL ID | CHEMBL6062344 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RERUNYXDNHORRJ-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
565.7
MW (Da)
4.33
ALogP
8
HBA
2
HBD
122.1
PSA (Ų)
0.26
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.96 | 5.1983 | 1100.0 | 6 |
| Replicase polyprotein 1ab CHEMBL5118 | IC50 | 5.0 | 5.0 | 9900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1100.0 | nM | 5.96 | IC50 Determination: The inhibitor library was first screened for inhibition of e... | - |
| Unchecked | IC50 | = | 2100.0 | nM | 5.68 | IC50 Determination: The inhibitor library was first screened for inhibition of e... | - |
| Unchecked | IC50 | = | 7400.0 | nM | 5.13 | IC50 Determination: The inhibitor library was first screened for inhibition of e... | - |
| Unchecked | IC50 | = | 8900.0 | nM | 5.05 | IC50 Determination: The inhibitor library was first screened for inhibition of e... | - |
| Replicase polyprotein 1ab | IC50 | = | 9900.0 | nM | 5.0 | IC50 Determination: The inhibitor library was first screened for inhibition of e... | - |
| Unchecked | IC50 | = | 15600.0 | nM | 4.81 | IC50 Determination: The inhibitor library was first screened for inhibition of e... | - |
| Unchecked | IC50 | = | 27500.0 | nM | 4.56 | IC50 Determination: The inhibitor library was first screened for inhibition of e... | - |
Data from ChEMBL 36 via Core Engine