Compound Detail
CHEMBL5992368
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CN[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc2[nH]c(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@H]4CCCO4)cc3)cc2c1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL5992368 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYVONQUECYNVEN-PSWJWLENSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
662.8
MW (Da)
4.83
ALogP
6
HBA
4
HBD
135.9
PSA (Ų)
0.20
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 9.77 | 9.77 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 0.17 | nM | 9.77 | Measuring Compound Inhibitory Potency: Measurement of inhibition by compounds wa... | - |
Data from ChEMBL 36 via Core Engine