Compound Detail
CHEMBL518129
DALPANOL Enter ChEMBL ID:
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COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@@H]1CO2)C[C@H](C(C)(C)O)O4
Basic Information
| ChEMBL ID | CHEMBL518129 |
| Name | DALPANOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJRXJHPYROZVGI-AQNXPRMDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
412.4
MW (Da)
2.90
ALogP
7
HBA
1
HBD
83.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.19
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 652.0 | nM | 6.19 | Inhibition of complex 1 in bovine heart mitochondrial membranes in presence of N... | 32459967 |
| L5178Y | IC50 | = | 700.0 | nM | 6.16 | Cytotoxicity against mouse L5178Y cells by MTT assay | 28075580 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32459967 | 10.1021/acs.jnatprod.9b01224 | Unchecked | 4 |
| 32459967 | 10.1021/acs.jnatprod.9b01224 | LNCaP C4-2 | 3 |
| 32459967 | 10.1021/acs.jnatprod.9b01224 | LNCaP C4-2B | 2 |
| 32459967 | 10.1021/acs.jnatprod.9b01224 | PNT2 | 2 |
| 8326318 | 10.1021/np50095a005 | HCT-8 | 1 |
| 8326318 | 10.1021/np50095a005 | RPMI-7951 | 1 |
| 8326318 | 10.1021/np50095a005 | KB | 1 |
| 8326318 | 10.1021/np50095a005 | A549 | 1 |
| 8326318 | 10.1021/np50095a005 | TE-671 | 1 |
| 8326318 | 10.1021/np50095a005 | P388 | 1 |
| 28075580 | 10.1021/acs.jnatprod.6b00809 | L5178Y | 1 |
Data from ChEMBL 36 via Core Engine