Compound Detail
CHEMBL1094074
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Basic Information
| ChEMBL ID | CHEMBL1094074 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAEHJHVYENQCDK-ZPUQHVIOSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
327.8
MW (Da)
4.28
ALogP
3
HBA
1
HBD
47.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.05
EC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
| HeLa CHEMBL399 | IC50 | 6.05 | 6.05 | 890.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.96 | 5.96 | 1089.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 | EC50 | = | 10.0 | nM | 8.0 | Antagonist activity at human TRPV1 expressed in tetracycline-stimulated HEK293 c... | 20381363 |
| HeLa | IC50 | = | 890.0 | nM | 6.05 | Cytotoxicity against Homo sapiens (human) HeLa cells after 48 hr by MTT assay | - |
| MCF7 | IC50 | = | 1089.0 | nM | 5.96 | Cytotoxicity against Homo sapiens (human) MCF7 cells after 48 hr by MTT assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20381363 | 10.1016/j.bmc.2010.03.013 | Transient receptor potential cation channel subfamily V member 1 | 2 |
| - | 10.1007/s00044-013-0541-4 | Pseudomonas aeruginosa | 1 |
| - | 10.1007/s00044-013-0541-4 | Staphylococcus aureus | 1 |
| - | 10.1007/s00044-013-0541-4 | Bacillus subtilis | 1 |
| - | 10.1007/s00044-013-0541-4 | Shigella dysenteriae | 1 |
| - | 10.1007/s00044-013-0541-4 | Salmonella typhi | 1 |
| - | 10.1007/s00044-013-0541-4 | Klebsiella pneumoniae | 1 |
| - | 10.1007/s00044-013-0541-4 | Escherichia coli | 1 |
| - | 10.1007/s00044-013-0541-4 | MCF7 | 1 |
| - | 10.1007/s00044-013-0541-4 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine