Compound Detail
CHEMBL6038588
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CC(C)NC(=O)C(c1ccsc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(NC(=O)C2CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL6038588 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHKBFPSKHJNVEF-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
516.6
MW (Da)
4.14
ALogP
7
HBA
2
HBD
109.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.7 | 5.3425 | 2000.0 | 4 |
| Replicase polyprotein 1ab CHEMBL5118 | IC50 | 5.08 | 5.08 | 8300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2000.0 | nM | 5.7 | IC50 Determination: The inhibitor library was first screened for inhibition of e... | - |
| Unchecked | IC50 | = | 2400.0 | nM | 5.62 | IC50 Determination: The inhibitor library was first screened for inhibition of e... | - |
| Unchecked | IC50 | = | 8100.0 | nM | 5.09 | IC50 Determination: The inhibitor library was first screened for inhibition of e... | - |
| Replicase polyprotein 1ab | IC50 | = | 8300.0 | nM | 5.08 | IC50 Determination: The inhibitor library was first screened for inhibition of e... | - |
| Unchecked | IC50 | = | 11100.0 | nM | 4.96 | IC50 Determination: The inhibitor library was first screened for inhibition of e... | - |
Data from ChEMBL 36 via Core Engine