Compound Detail
CHEMBL521059
14-NORPSEUROTIN A Enter ChEMBL ID:
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C/C=C\[C@H](O)[C@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O
Basic Information
| ChEMBL ID | CHEMBL521059 |
| Name | 14-NORPSEUROTIN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCGCMRDADMTJIM-LFDIKFNASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
417.4
MW (Da)
-0.39
ALogP
8
HBA
4
HBD
142.4
PSA (Ų)
0.28
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 4.39 | 4.39 | 41000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 41000.0 | nM | 4.39 | Cytotoxicity against human K562 cells after 48 hrs by MTT assay | 19256529 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18505285 | 10.1021/np700737g | Escherichia coli | 1 |
| 18505285 | 10.1021/np700737g | Bacillus subtilis | 1 |
| 18505285 | 10.1021/np700737g | Micrococcus luteus | 1 |
| 19256529 | 10.1021/np800700e | KB | 1 |
| 19256529 | 10.1021/np800700e | K562 | 1 |
| 19256529 | 10.1021/np800700e | MCF7 | 1 |
| 19256529 | 10.1021/np800700e | PC-12 | 1 |
Data from ChEMBL 36 via Core Engine