Compound Detail
CHEMBL5945587
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O=C(Nc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccccc2)c2ccsc2)cc1)C1CC1
Basic Information
| ChEMBL ID | CHEMBL5945587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOOGDCUJJKYCSA-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
564.7
MW (Da)
4.93
ALogP
7
HBA
2
HBD
109.2
PSA (Ų)
0.25
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.22 | 5.875 | 600.0 | 4 |
| Replicase polyprotein 1ab CHEMBL5118 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 600.0 | nM | 6.22 | IC50 Determination: The inhibitor library was first screened for inhibition of e... | - |
| Unchecked | IC50 | = | 800.0 | nM | 6.1 | IC50 Determination: The inhibitor library was first screened for inhibition of e... | - |
| Replicase polyprotein 1ab | IC50 | = | 2000.0 | nM | 5.7 | IC50 Determination: The inhibitor library was first screened for inhibition of e... | - |
| Unchecked | IC50 | = | 2200.0 | nM | 5.66 | IC50 Determination: The inhibitor library was first screened for inhibition of e... | - |
| Unchecked | IC50 | = | 3000.0 | nM | 5.52 | IC50 Determination: The inhibitor library was first screened for inhibition of e... | - |
Data from ChEMBL 36 via Core Engine