Compound Detail
CHEMBL5987142
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CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1c[nH]cn1)c1ccc(C2CCCCC2)cc1
Basic Information
| ChEMBL ID | CHEMBL5987142 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UUIGKVSWQHRQOO-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
459.6
MW (Da)
5.16
ALogP
4
HBA
2
HBD
91.0
PSA (Ų)
0.53
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.37 | 4.6767 | 4300.0 | 6 |
| Replicase polyprotein 1ab CHEMBL5118 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4300.0 | nM | 5.37 | IC50 Determination: The inhibitor library was first screened for inhibition of e... | - |
| Replicase polyprotein 1ab | IC50 | = | 6300.0 | nM | 5.2 | IC50 Determination: The inhibitor library was first screened for inhibition of e... | - |
| Unchecked | IC50 | = | 11600.0 | nM | 4.94 | IC50 Determination: The inhibitor library was first screened for inhibition of e... | - |
| Unchecked | IC50 | = | 26200.0 | nM | 4.58 | IC50 Determination: The inhibitor library was first screened for inhibition of e... | - |
| Unchecked | IC50 | = | 27000.0 | nM | 4.57 | IC50 Determination: The inhibitor library was first screened for inhibition of e... | - |
| Unchecked | IC50 | = | 39700.0 | nM | 4.4 | IC50 Determination: The inhibitor library was first screened for inhibition of e... | - |
| Unchecked | IC50 | = | 63100.0 | nM | 4.2 | IC50 Determination: The inhibitor library was first screened for inhibition of e... | - |
Data from ChEMBL 36 via Core Engine