Compound Detail
CHEMBL4209620
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Cc1ccc(/C=C/c2ccc(-n3nc(C(C)(C)C)cc3CNC(=O)C(C)c3ccc(NS(C)(=O)=O)c(F)c3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL4209620 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAMHIFMSBXULOH-VAWYXSNFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
588.8
MW (Da)
6.58
ALogP
5
HBA
2
HBD
93.1
PSA (Ų)
0.22
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | Ki | 6.09 | 6.09 | 819.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 | Ki | = | 819.0 | nM | 6.09 | Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition... | 28838698 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28838698 | 10.1016/j.bmcl.2017.08.020 | Transient receptor potential cation channel subfamily V member 1 | 1 |
Data from ChEMBL 36 via Core Engine