Compound Detail
CHEMBL5809177
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CC(=O)Nc1ccc(-c2[nH]c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)cc3c2Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL5809177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISVODORPOXOXSK-FIBWVYCGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
630.1
MW (Da)
6.64
ALogP
5
HBA
4
HBD
132.6
PSA (Ų)
0.18
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 17.0 | nM | 7.77 | Measuring Compound Inhibitory Potency: Measurement of inhibition by compounds wa... | - |
Data from ChEMBL 36 via Core Engine