Compound Detail
CHEMBL302637
NORTOPSENTIN A Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL302637 |
| Name | NORTOPSENTIN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIGUXWQKCPFOAH-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
456.1
MW (Da)
6.23
ALogP
1
HBA
3
HBD
60.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.35
Ki 2 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 6.28 | 6.28 | 520.0 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 5.67 | 5.67 | 2140.0 | 1 |
| P388 CHEMBL389 | IC50 | 5.35 | 5.35 | 4500.0 | 4 |
| Candida albicans CHEMBL366 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1B adrenergic receptor | Ki | = | 520.0 | nM | 6.28 | Compound was tested for its binding affinity towards Rat-1 cells stably expressi... | - |
| Alpha-1A adrenergic receptor | Ki | = | 2140.0 | nM | 5.67 | Compound was tested for its binding affinity towards CHO cells expressing human ... | - |
| P388 | IC50 | = | 4500.0 | nM | 5.35 | Cytotoxicity against mouse P388 cells | 20472437 |
| P388 | IC50 | = | 4500.0 | nM | 5.35 | Cytotoxicity against mouse P388 cells | 23919303 |
| P388 | IC50 | = | 4500.0 | nM | 5.35 | Cytotoxicity against mouse P388 cells | 25442306 |
| P388 | IC50 | = | 4500.0 | nM | 5.35 | Cytotoxicity against mouse P388 cells assessed as reduction in cell viability | 28494255 |
| Candida albicans | IC50 | = | 6800.0 | nM | 5.17 | Antifungal activity against Candida albicans assessed as fungal growth inhibitio... | 33153766 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00376-9 | Alpha-1A adrenergic receptor | 1 |
| - | 10.1016/0960-894X(96)00376-9 | Alpha-1B adrenergic receptor | 1 |
| - | 10.1016/0960-894X(96)00376-9 | Adrenergic receptors; alpha-1 A & B | 1 |
| 20472437 | 10.1016/j.bmc.2010.04.061 | P388 | 1 |
| 23919303 | 10.1021/jm400842x | P388 | 1 |
| 25442306 | 10.1016/j.bmcl.2014.09.085 | P388 | 1 |
| 28494255 | 10.1016/j.ejmech.2017.04.078 | P388 | 1 |
| 33153766 | 10.1016/j.ejmech.2020.112945 | Candida albicans | 1 |
| 36170798 | 10.1016/j.ejmech.2022.114748 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine