Compound Detail
CHEMBL3325769
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CC[C@H]1C[C@H]2CN3Cn4c(c(COC)c5ccc(OC)cc54)[C@](C(=O)OC)(C2)[C@H]13
Basic Information
| ChEMBL ID | CHEMBL3325769 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTMISWKUNNTVAS-YOTMJQBJSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
3.30
ALogP
6
HBA
0
HBD
52.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.16
EC50 1 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily M member 8 CHEMBL3108632 | IC50 | 5.16 | 4.785 | 7000.0 | 2 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | 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 M member 8 | IC50 | = | 7000.0 | nM | 5.16 | Antagonist activity against mouse TRPM8 expressed in T-REx HEK cells assessed as... | 25052206 |
| Transient receptor potential cation channel subfamily A member 1 | EC50 | = | 26000.0 | nM | 4.58 | Agonist activity at human TRPA1 expressed in T-REx HEK cells assessed as increas... | 25052206 |
| Transient receptor potential cation channel subfamily M member 8 | IC50 | = | 39000.0 | nM | 4.41 | Antagonist activity against mouse TRPM8 expressed in T-REx HEK cells assessed as... | 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 | 4 |
| 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