Compound Detail
CHEMBL433276
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Basic Information
| ChEMBL ID | CHEMBL433276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRGDOZGZFFCDRJ-HNNXBMFYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
419.6
MW (Da)
4.49
ALogP
3
HBA
3
HBD
70.6
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.83
Ki 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 5.83 | 5.83 | 1470.0 | 1 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | Ki | 5.4 | 5.4 | 3950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 1470.0 | nM | 5.83 | Inhibitory concentration of compound against 45 [Ca2+] influx in neonatal rat cu... | 15026064 |
| Transient receptor potential cation channel subfamily V member 1 | Ki | = | 3950.0 | nM | 5.4 | Displacement of [3H]RTX from rat TRPV1 receptor expressed in CHO cells | 17629487 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17629487 | 10.1016/j.bmc.2007.06.041 | Transient receptor potential cation channel subfamily V member 1 | 3 |
| 15026064 | 10.1016/j.bmcl.2004.01.066 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine