Compound Detail
CHEMBL5774207
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O=C(Nc1ccc(-c2cc3nc(NC(=O)[C@@H]4CCCN4C(=O)Cc4ccccc4)ccc3[nH]2)cc1)[C@@H]1CCCN1C(=O)Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL5774207 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWGFJQBNRCTGIS-HEVIKAOCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
654.8
MW (Da)
5.57
ALogP
5
HBA
3
HBD
127.5
PSA (Ų)
0.19
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 8.05 | 8.05 | 9.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 9.0 | nM | 8.05 | Measuring Compound Inhibitory Potency: Measurement of inhibition by compounds wa... | - |
Data from ChEMBL 36 via Core Engine