Compound Detail
CHEMBL1345058
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Basic Information
| ChEMBL ID | CHEMBL1345058 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OECUWHDVQIITIS-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
3
PK Parameters
6
Publications
0
Known Names
Molecular Properties
303.4
MW (Da)
4.29
ALogP
4
HBA
1
HBD
43.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Short transient receptor potential channel 5 CHEMBL4523481 | IC50 | 5.39 | 5.39 | 4060.0 | 1 |
| Short transient receptor potential channel 5 CHEMBL1250411 | IC50 | 4.83 | 4.51 | 14900.0 | 2 |
| Short transient receptor potential channel 4 CHEMBL4295971 | IC50 | 4.11 | 4.11 | 77200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1130.0 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 2264.56 | nM | Rattus norvegicus |
| Tmax | 0.11 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Short transient receptor potential channel 5 | IC50 | = | 4060.0 | nM | 5.39 | Inhibition of mouse TRPC5 expressed in Flp-In-T-Rex-HEK293 cells assessed as red... | 30538066 |
| Short transient receptor potential channel 5 | IC50 | = | 14900.0 | nM | 4.83 | Inhibition of human TRPC5 expressed in HEK293T cells assessed as intracellular c... | 37738708 |
| Short transient receptor potential channel 5 | IC50 | = | 64970.0 | nM | 4.19 | Inhibition of human TRPC5 channel expressed in HEK293 cells assessed as inhibiti... | 35653869 |
| Short transient receptor potential channel 4 | IC50 | = | 77200.0 | nM | 4.11 | Inhibition of human TRPC4 channel expressed in HEK293 cells assessed as inhibiti... | 35653869 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35653869 | 10.1016/j.bmc.2022.116853 | Unchecked | 5 |
| 30538066 | 10.1016/j.bmcl.2018.12.007 | ADMET | 3 |
| 30538066 | 10.1016/j.bmcl.2018.12.007 | Short transient receptor potential channel 5 | 2 |
| 35653869 | 10.1016/j.bmc.2022.116853 | Short transient receptor potential channel 5 | 1 |
| 35653869 | 10.1016/j.bmc.2022.116853 | Short transient receptor potential channel 4 | 1 |
| 37738708 | 10.1016/j.bmc.2023.117477 | Short transient receptor potential channel 5 | 1 |
Data from ChEMBL 36 via Core Engine