Compound Detail
CHEMBL448800
GENTISYL ALCOHOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL448800 |
| Name | GENTISYL ALCOHOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUZSUVGRVHEUQO-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
140.1
MW (Da)
0.59
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Radical scavenging activity CHEMBL613712 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.77 | 4.77 | 17100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 400.0 | nM | 6.4 | Antioxidant activity assessed as nitric oxide radical scavenging activity | 12027772 |
| Radical scavenging activity | IC50 | = | 1400.0 | nM | 5.85 | Antioxidant activity assessed as DPPH free radical scavenging activity | 12027772 |
| NON-PROTEIN TARGET | IC50 | = | 2200.0 | nM | 5.66 | Antioxidant activity assessed as peroxy nitrite free radical scavenging activity | 12027772 |
| HT-29 | IC50 | = | 6400.0 | nM | 5.19 | Cytotoxicity against human HT-29 cells after 3 days by sulforhodamine B assay | 28409637 |
| Leishmania donovani | IC50 | = | 8500.0 | nM | 5.07 | Antileishmanial activity against promastigote forms of Leishmania donovani by al... | 25084548 |
| MCF7 | IC50 | = | 17100.0 | nM | 4.77 | Cytotoxicity against human MCF7 cells after 3 days by sulforhodamine B assay | 28409637 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12027772 | 10.1021/np010450k | NON-PROTEIN TARGET | 2 |
| 25084548 | 10.1021/np5000473 | Leishmania donovani | 2 |
| 12027772 | 10.1021/np010450k | Radical scavenging activity | 1 |
| 12027772 | 10.1021/np010450k | No relevant target | 1 |
| 28409637 | 10.1021/acs.jnatprod.6b01069 | MCF7 | 1 |
| 28409637 | 10.1021/acs.jnatprod.6b01069 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine