Compound Detail
CHEMBL26424
TESMILIFENE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL26424 |
| Name | TESMILIFENE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | NFIXBCVWIPOYCD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
2
Known Names
1
Indications
Molecular Properties
283.4
MW (Da)
4.00
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Breast Neoplasms
Activity Summary
IC50 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase CHEMBL4618 | IC50 | 6.8 | 6.6 | 160.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene A-4 hydrolase | IC50 | = | 160.0 | nM | 6.8 | Inhibitory activity was determined for LTB4 production in human whole blood. | 10691697 |
| Leukotriene A-4 hydrolase | IC50 | = | 400.0 | nM | 6.4 | Inhibitory activity was determined against Leukotriene A4 hydrolase | 10691697 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10691697 | 10.1021/jm990496z | Leukotriene A-4 hydrolase | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 1573630 | 10.1021/jm00086a002 | Anti-estrogen binding site (AEBS) | 1 |
| 1573630 | 10.1021/jm00086a002 | Estrogen receptor | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine