Compound Detail
CHEMBL594016
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C=C(C(=O)OCC1=C[C@H]2[C@H]3O[C@@]4(Cc5ccccc5)O[C@@]2([C@H](C)C[C@]3(C(=C)C)O4)[C@@H]2C=C(C)C(=O)[C@@]2(O)C1)c1ccc(O)c(OC)c1
Basic Information
| ChEMBL ID | CHEMBL594016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IELGEIJMORZITR-NDGUYZLLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
640.7
MW (Da)
5.22
ALogP
9
HBA
2
HBD
120.8
PSA (Ų)
0.23
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | EC50 | 9.82 | 9.82 | 0.1 | 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 | EC50 | = | 0.15 | nM | 9.82 | Agonist activity at human TRPV1 expressed in HEK293 cells assessed as increase i... | 19951840 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19951840 | 10.1016/j.bmcl.2009.11.035 | Transient receptor potential cation channel subfamily V member 1 | 1 |
Data from ChEMBL 36 via Core Engine