Compound Detail
CHEMBL5598527
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
Basic Information
| ChEMBL ID | CHEMBL5598527 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBGFODGJEVMWQN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
9
PK Parameters
2
Publications
0
Known Names
Molecular Properties
439.8
MW (Da)
3.86
ALogP
5
HBA
1
HBD
66.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Short transient receptor potential channel 5 CHEMBL1250411 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 73.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 607.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 247.0 | mL.min-1.g-1 | Mus musculus |
| F | 21.2 | % | Homo sapiens |
| F | 6.82 | % | Rattus norvegicus |
| F | 15.3 | % | Mus musculus |
| T1/2 | 0.48 | hr | Homo sapiens |
| T1/2 | 0.05767 | hr | Rattus norvegicus |
| T1/2 | 0.142 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Short transient receptor potential channel 5 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of TRPC5 (unknown origin) expressed in HEK293 cells assessed as reduc... | 38878518 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38878518 | 10.1016/j.ejmech.2024.116565 | ADMET | 9 |
| 38878518 | 10.1016/j.ejmech.2024.116565 | Short transient receptor potential channel 5 | 1 |
Data from ChEMBL 36 via Core Engine