Compound Detail
CHEMBL451849
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CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@@]3(O)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@]12OC(=O)CCCCCCCCCCCCC
Basic Information
| ChEMBL ID | CHEMBL451849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIJXAQUZVQLIKU-TWQTVTOMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
785.2
MW (Da)
10.43
ALogP
8
HBA
3
HBD
130.4
PSA (Ų)
0.04
QED
2
Ro5 Violations
27
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 4 CHEMBL6126 | EC50 | 5.55 | 5.55 | 2830.0 | 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 4 | EC50 | = | 2830.0 | nM | 5.55 | Activation of mouse wild type TRPV4 expressed in HEK293 cells assessed as increa... | 19361196 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19361196 | 10.1021/jm9001007 | Transient receptor potential cation channel subfamily V member 4 | 1 |
Data from ChEMBL 36 via Core Engine