Compound Detail
CHEMBL4249976
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Basic Information
| ChEMBL ID | CHEMBL4249976 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIQNTHUDICZKCW-GKLGADECSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
430.6
MW (Da)
6.89
ALogP
4
HBA
2
HBD
70.9
PSA (Ų)
0.12
QED
1
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 2 CHEMBL2863 | IC50 | 6.92 | 6.22 | 120.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 2 | IC50 | = | 120.0 | nM | 6.92 | Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed ... | 30176215 |
| Transient receptor potential cation channel subfamily V member 2 | IC50 | = | 3000.0 | nM | 5.52 | Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed ... | 30176215 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30176215 | 10.1021/acs.jmedchem.8b00734 | Transient receptor potential cation channel subfamily V member 2 | 2 |
Data from ChEMBL 36 via Core Engine