Compound Detail
CHEMBL1774398
DEACETYLNIMBIN Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@@H]2[C@H](O)[C@@H]2[C@]1(C)C(=O)C=C[C@@]2(C)C(=O)OC
Basic Information
| ChEMBL ID | CHEMBL1774398 |
| Name | DEACETYLNIMBIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTBHKOAPXBDFPX-PQYHCQQJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
498.6
MW (Da)
3.35
ALogP
8
HBA
1
HBD
112.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 4.94 | 4.94 | 11600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 11600.0 | nM | 4.94 | Cytotoxicity against human HL60 cells assessed as cell viability after 48 hrs by... | 21381696 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/j.cropro.2005.01.009 | Cnaphalocrocis medinalis | 8 |
| - | 10.1271/bbb.56.1835 | Reticulitermes speratus | 6 |
| 21381696 | 10.1021/np100783k | NON-PROTEIN TARGET | 2 |
| 21381696 | 10.1021/np100783k | HL-60 | 1 |
| 21381696 | 10.1021/np100783k | A549 | 1 |
| 21381696 | 10.1021/np100783k | SK-BR-3 | 1 |
| 12137465 | 10.1021/jf025534t | Spodoptera litura | 1 |
Data from ChEMBL 36 via Core Engine