Compound Detail
CHEMBL5789068
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CC[C@H](NC(=O)OC)C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3cc4cc(NC(=O)[C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)ccc4[nH]3)cc2)[nH]1
Basic Information
| ChEMBL ID | CHEMBL5789068 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZHRRDUFTBNRBU-MKKRQWMVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
740.9
MW (Da)
5.33
ALogP
8
HBA
5
HBD
190.8
PSA (Ų)
0.14
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 10.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 10.19 | 10.19 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 0.065 | nM | 10.19 | Measuring Compound Inhibitory Potency: Measurement of inhibition by compounds wa... | - |
Data from ChEMBL 36 via Core Engine