Compound Detail
CHEMBL1506485
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Basic Information
| ChEMBL ID | CHEMBL1506485 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTXBDULODNTCKP-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
4
PK Parameters
3
Publications
0
Known Names
Molecular Properties
365.5
MW (Da)
4.09
ALogP
5
HBA
1
HBD
54.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
EC50 1 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Short transient receptor potential channel 6 CHEMBL2417347 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Short transient receptor potential channel 3 CHEMBL2417348 | IC50 | 5.9 | 5.9 | 1260.0 | 1 |
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | EC50 | 4.91 | 4.91 | 12310.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 120.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 684.07 | nM | Rattus norvegicus |
| F | 1.0 | % | Rattus norvegicus |
| MRT | 0.3 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Short transient receptor potential channel 6 | IC50 | = | 500.0 | nM | 6.3 | Inhibition of human recombinant TRPC6 expressed in HEK293-MSRII cells assessed a... | 23886683 |
| Short transient receptor potential channel 3 | IC50 | = | 1260.0 | nM | 5.9 | Inhibition of human recombinant TRPC3 expressed in HEK293-MSRII cells assessed a... | 23886683 |
| E3 ubiquitin-protein ligase Mdm2 | EC50 | = | 12310.0 | nM | 4.91 | PUBCHEM_BIOASSAY: E3 Ligase dose-response_384. (Class of assay: confirmatory) [R... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23886683 | 10.1016/j.bmcl.2013.06.047 | Rattus norvegicus | 6 |
| 23886683 | 10.1016/j.bmcl.2013.06.047 | Short transient receptor potential channel 6 | 1 |
| 23886683 | 10.1016/j.bmcl.2013.06.047 | Short transient receptor potential channel 3 | 1 |
Data from ChEMBL 36 via Core Engine