Compound Detail
CHEMBL562257
LEUKAMENIN E Enter ChEMBL ID:
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C=C1C(=O)[C@@]23[C@H](O)C[C@@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@@]4(C)[C@@H]2CC[C@@H]1[C@H]3O
Basic Information
| ChEMBL ID | CHEMBL562257 |
| Name | LEUKAMENIN E |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWHAVXHOWGXALS-OACISFLYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
2.64
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NB-4 CHEMBL614188 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NB-4 | IC50 | = | 4000.0 | nM | 5.4 | Cytotoxicity against human NB4 cells after 48 hrs by SRB method | 19425589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19425589 | 10.1021/np9000366 | NB-4 | 1 |
| 19425589 | 10.1021/np9000366 | A549 | 1 |
| 19425589 | 10.1021/np9000366 | SH-SY5Y | 1 |
| 19425589 | 10.1021/np9000366 | PC-3 | 1 |
| 19425589 | 10.1021/np9000366 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine