Compound Detail
CHEMBL4465116
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1nn(-c2ccc(F)cn2)cc1C(=O)Nc1nc(C2CCC2)c(CCN2CCCCC2)s1.Cl.Cl
Basic Information
| ChEMBL ID | CHEMBL4465116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQLIWQBORGMEKD-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4595937 |
| Active Moiety | CHEMBL4595937 |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
4.72
ALogP
7
HBA
1
HBD
75.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 4 CHEMBL2775 | IC50 | 9.14 | 9.14 | 0.7 | 1 |
| Transient receptor potential cation channel subfamily V member 4 CHEMBL3119 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 120.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 798.0 | mL.min-1.kg-1 | 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 | = | 0.73 | nM | 9.14 | Inhibition of rat TRPV4 expressed in HEK293 cells assessed as reduction in Ca2+ ... | 31327678 |
| Transient receptor potential cation channel subfamily V member 4 | IC50 | = | 3.3 | nM | 8.48 | Inhibition of human TRPV4 expressed in HEK293 cells assessed as reduction in Ca2... | 31327678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31327678 | 10.1016/j.bmc.2019.05.041 | Transient receptor potential cation channel subfamily V member 4 | 2 |
| 31327678 | 10.1016/j.bmc.2019.05.041 | No relevant target | 2 |
| 31327678 | 10.1016/j.bmc.2019.05.041 | ADMET | 2 |
| 31327678 | 10.1016/j.bmc.2019.05.041 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine