Compound Detail
CHEMBL4469630
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Basic Information
| ChEMBL ID | CHEMBL4469630 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HAPYNQDQYINPTB-GOTSBHOMSA-N |
1
Targets
1
Activities
1
Assay Types
5
PK Parameters
3
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
4.73
ALogP
5
HBA
0
HBD
71.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 4 CHEMBL3119 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 63.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 450.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 32.0 | % | Rattus norvegicus |
| Fu | 0.14 | - | Rattus norvegicus |
| MRT | 0.5 | hr | Rattus norvegicus |
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 | = | 0.5 | nM | 9.3 | 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 | ADMET | 6 |
| 31413810 | 10.1021/acsmedchemlett.9b00274 | Transient receptor potential cation channel subfamily V member 4 | 1 |
| 31413810 | 10.1021/acsmedchemlett.9b00274 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine