Compound Detail
CHEMBL465673
DEHYDRODEGUELIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL465673 |
| Name | DEHYDRODEGUELIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGQVFILFHVPLFE-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
392.4
MW (Da)
4.55
ALogP
6
HBA
0
HBD
67.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B16 CHEMBL381 | IC50 | 6.25 | 6.25 | 560.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 6.25 | 6.25 | 560.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.25 | 6.25 | 560.0 | 1 |
| Lewis lung carcinoma cell line CHEMBL614088 | IC50 | 6.25 | 6.25 | 560.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| L5178Y CHEMBL614720 | IC50 | 4.99 | 4.99 | 10200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B16 | IC50 | = | 560.0 | nM | 6.25 | Cytotoxicity against mouse B16 cells assessed as reduction in cell viability by ... | 28665590 |
| Lewis lung carcinoma cell line | IC50 | = | 560.0 | nM | 6.25 | Cytotoxicity against mouse LL/2 cells assessed as reduction in cell viability by... | 28665590 |
| Unchecked | IC50 | = | 560.0 | nM | 6.25 | Cytotoxicity against mouse C26 cells assessed as reduction in cell viability by ... | 28665590 |
| HepG2 | IC50 | = | 560.0 | nM | 6.25 | Cytotoxicity against human HepG2 cells assessed as reduction in cell viability b... | 28665590 |
| NON-PROTEIN TARGET | IC50 | = | 1200.0 | nM | 5.92 | Growth inhibition of Nf1 defective and Trp53 defective mouse K5001 cells after 2... | 26467198 |
| L5178Y | IC50 | = | 10200.0 | nM | 4.99 | Cytotoxicity against mouse L5178Y cells by MTT assay | 28075580 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26467198 | 10.1021/acs.jnatprod.5b00753 | NON-PROTEIN TARGET | 4 |
| 28665590 | 10.1021/acs.jnatprod.7b00255 | Unchecked | 2 |
| 26467198 | 10.1021/acs.jnatprod.5b00753 | RAC-alpha serine/threonine-protein kinase | 2 |
| 26467198 | 10.1021/acs.jnatprod.5b00753 | Unchecked | 2 |
| 28665590 | 10.1021/acs.jnatprod.7b00255 | HepG2 | 1 |
| 11975515 | 10.1021/np010126p | Helicobacter pylori | 1 |
| 28665590 | 10.1021/acs.jnatprod.7b00255 | Lewis lung carcinoma cell line | 1 |
| 28665590 | 10.1021/acs.jnatprod.7b00255 | B16 | 1 |
| 28075580 | 10.1021/acs.jnatprod.6b00809 | L5178Y | 1 |
| 26467198 | 10.1021/acs.jnatprod.5b00753 | ADMET | 1 |
| 23186287 | 10.1021/jm301488q | NON-PROTEIN TARGET | 1 |
| 11975515 | 10.1021/np010126p | Candida albicans | 1 |
| 11975515 | 10.1021/np010126p | Pseudomonas aeruginosa | 1 |
| 11975515 | 10.1021/np010126p | Escherichia coli | 1 |
| 11975515 | 10.1021/np010126p | Bacteroides fragilis | 1 |
| 11975515 | 10.1021/np010126p | Micrococcus luteus | 1 |
| 11975515 | 10.1021/np010126p | Bacillus subtilis | 1 |
Data from ChEMBL 36 via Core Engine