Compound Detail
CHEMBL465761
DABINOL Enter ChEMBL ID:
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C=C(CO)[C@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(OC)c(OC)cc4[C@]2(O)C3=O)O1
Basic Information
| ChEMBL ID | CHEMBL465761 |
| Name | DABINOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYQAATJJIDGOMQ-AYPBNUJASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
426.4
MW (Da)
1.78
ALogP
8
HBA
2
HBD
103.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.7
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L5178Y | IC50 | = | 200.0 | nM | 6.7 | Cytotoxicity against mouse L5178Y cells by MTT assay | 28075580 |
| Unchecked | IC50 | = | 3810.0 | nM | 5.42 | Inhibition of complex 1 in bovine heart mitochondrial membranes in presence of N... | 32459967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8350086 | 10.1021/np50096a006 | Unchecked | 4 |
| 8350086 | 10.1021/np50096a006 | Raji | 4 |
| 8326318 | 10.1021/np50095a005 | HCT-8 | 1 |
| 8326318 | 10.1021/np50095a005 | RPMI-7951 | 1 |
| 8326318 | 10.1021/np50095a005 | KB | 1 |
| 8326318 | 10.1021/np50095a005 | P388 | 1 |
| 8326318 | 10.1021/np50095a005 | A549 | 1 |
| 8326318 | 10.1021/np50095a005 | TE-671 | 1 |
| 17125241 | 10.1021/np060418w | Lu1 | 1 |
| 17125241 | 10.1021/np060418w | LNCaP | 1 |
| 17125241 | 10.1021/np060418w | MCF7 | 1 |
| 28075580 | 10.1021/acs.jnatprod.6b00809 | L5178Y | 1 |
| 32459967 | 10.1021/acs.jnatprod.9b01224 | Unchecked | 1 |
| 39255387 | 10.1021/acs.jnatprod.4c00690 | Staphylococcus aureus | 1 |
| 39255387 | 10.1021/acs.jnatprod.4c00690 | Escherichia coli | 1 |
| 39255387 | 10.1021/acs.jnatprod.4c00690 | Candida albicans | 1 |
Data from ChEMBL 36 via Core Engine