Compound Detail
CHEMBL297877
DEOXYHARRINGTONINE Enter ChEMBL ID:
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COC(=O)C[C@](O)(CCC(C)C)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4
Basic Information
| ChEMBL ID | CHEMBL297877 |
| Name | DEOXYHARRINGTONINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRCBXHDQHPUVHW-QKBZBAIHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
515.6
MW (Da)
3.08
ALogP
9
HBA
1
HBD
103.8
PSA (Ų)
0.52
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 20.0 | nM | 7.7 | Cytotoxicity against human HL60 cells assessed as growth inhibition after 72 hrs... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 845863 | 10.1021/jm00213a002 | P388 | 3 |
| 845863 | 10.1021/jm00213a002 | Mus musculus | 3 |
| - | 10.1016/0960-894X(96)00302-2 | P388 | 1 |
| - | 10.1021/np9605044 | P388 | 1 |
| - | 10.1021/np9604543 | P388 | 1 |
| - | 10.1039/C0MD00241K | HL-60 | 1 |
| - | 10.1039/C0MD00241K | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine