Compound Detail
CHEMBL5837586
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CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2nc3cc(NC(=O)[C@@H]4CCCN4C(=O)[C@H](NC(=O)OC(C)(C)C)c4ccccc4)ccc3[nH]2)cc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL5837586 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJQLGSSKALZLQU-JPYDVTDNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
885.0
MW (Da)
7.62
ALogP
9
HBA
5
HBD
204.2
PSA (Ų)
0.09
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 10.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 10.35 | 10.35 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 0.045 | nM | 10.35 | Measuring Compound Inhibitory Potency: Measurement of inhibition by compounds wa... | - |
Data from ChEMBL 36 via Core Engine