Compound Detail
CHEMBL4465488
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C[C@]1(Cn2cnc3ccc(C#N)cc32)CCC[C@@]2(CN(c3cccc(Cl)c3)C(=O)O2)C1
Basic Information
| ChEMBL ID | CHEMBL4465488 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYKZXVISNTYXSH-ZEQRLZLVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
434.9
MW (Da)
5.54
ALogP
5
HBA
0
HBD
71.2
PSA (Ų)
0.54
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 4 CHEMBL3119 | IC50 | 7.32 | 7.32 | 48.0 | 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 | IC50 | = | 48.0 | nM | 7.32 | Inhibition of human TRPV4 expressed in baculovirus infected HEK/MSR 2 cells pre-... | 31413810 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31413810 | 10.1021/acsmedchemlett.9b00274 | No relevant target | 1 |
| 31413810 | 10.1021/acsmedchemlett.9b00274 | Transient receptor potential cation channel subfamily V member 4 | 1 |
Data from ChEMBL 36 via Core Engine