Compound Detail
CHEMBL241896
GERANYLCOUMARIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL241896 |
| Name | GERANYLCOUMARIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAYCKFWCZGZEHA-WEPZFIBGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
4.72
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 4.37 | 4.37 | 42930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 170.0 | nM | 6.77 | Inhibition of rat microsomal VKER | 17275317 |
| Cytochrome P450 3A4 | IC50 | = | 42930.0 | nM | 4.37 | Inhibition of human recombinant CYP3A4 | 17400460 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17400460 | 10.1016/j.bmc.2007.03.047 | Cytochrome P450 3A4 | 2 |
| 17400460 | 10.1016/j.bmc.2007.03.047 | NON-PROTEIN TARGET | 1 |
| 17400460 | 10.1016/j.bmc.2007.03.047 | No relevant target | 1 |
| 17275317 | 10.1016/j.bmc.2007.01.014 | Unchecked | 1 |
| 29975532 | 10.1021/acs.jnatprod.7b00938 | A549 | 1 |
| 29975532 | 10.1021/acs.jnatprod.7b00938 | MDA-MB-231 | 1 |
| 29975532 | 10.1021/acs.jnatprod.7b00938 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine