Compound Detail
CHEMBL5901824
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CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc2[nH]c(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)OCc5ccccc5)[nH]4)cc3)cc2c1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL5901824 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIQKICKSJXHDFL-YZBUDRBASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
808.0
MW (Da)
8.89
ALogP
7
HBA
4
HBD
161.8
PSA (Ų)
0.11
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 10.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 10.51 | 10.51 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 0.031 | nM | 10.51 | Measuring Compound Inhibitory Potency: Measurement of inhibition by compounds wa... | - |
Data from ChEMBL 36 via Core Engine