Compound Detail
CHEMBL5278539
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CS(=O)(=O)Nc1cc([C@H](O)CNC2CCN(c3ccc(CC4NC(=O)SC4=O)cc3)CC2)ccc1O
Basic Information
| ChEMBL ID | CHEMBL5278539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONZKZAUJEOKBMX-LWMIZPGFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
534.7
MW (Da)
1.95
ALogP
9
HBA
5
HBD
148.1
PSA (Ų)
0.30
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor CHEMBL2331074 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor | EC50 | = | 10.0 | nM | 8.0 | Agonist activity at human adrenergic receptor expressed in CHO cells | 28231521 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28231521 | 10.1016/j.ejmech.2017.02.031 | Adrenergic receptor | 2 |
Data from ChEMBL 36 via Core Engine