Compound Detail
CHEMBL3325767
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COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2[C@@H]4O[C@@]56[C@@H]7C[C@@]4(CN5c4c(OC)cccc4[C@@]64CCN5CC[C@@H]6OCC[C@]6(C7)[C@H]54)[C@@H]4OCC[C@]4(C1)[C@H]23
Basic Information
| ChEMBL ID | CHEMBL3325767 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZBFPDQKWUWUCK-SFUBKHQQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
716.9
MW (Da)
4.53
ALogP
10
HBA
1
HBD
85.0
PSA (Ų)
0.45
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | EC50 | 4.58 | 4.58 | 26000.0 | 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 | EC50 | = | 26000.0 | nM | 4.58 | Agonist activity at human TRPV1 expressed in T-REx HEK cells assessed as increas... | 25052206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25052206 | 10.1021/np500235b | Transient receptor potential cation channel subfamily M member 8 | 5 |
| 25052206 | 10.1021/np500235b | Transient receptor potential cation channel subfamily A member 1 | 3 |
| 25052206 | 10.1021/np500235b | Transient receptor potential cation channel subfamily V member 1 | 3 |
| 25052206 | 10.1021/np500235b | ADMET | 1 |
Data from ChEMBL 36 via Core Engine