Compound Detail
CHEMBL397932
ISOPRENYLCOUMARIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL397932 |
| Name | ISOPRENYLCOUMARIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRWFXMOTWDSLNX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
230.3
MW (Da)
3.01
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vitamin K epoxide reductase complex subunit 1 CHEMBL1930 | IC50 | 4.1 | 4.1 | 79000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.1 | 4.1 | 79000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 79000.0 | nM | 4.1 | Inhibition of rat microsomal VKER | 17275317 |
| Vitamin K epoxide reductase complex subunit 1 | IC50 | = | 79000.0 | nM | 4.1 | Inhibition of recombinant human wild-type VKORC1 expressed in Pichia pastoris me... | 37741121 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17275317 | 10.1016/j.bmc.2007.01.014 | Unchecked | 1 |
| 37741121 | 10.1016/j.bmc.2023.117453 | Vitamin K epoxide reductase complex subunit 1 | 1 |
Data from ChEMBL 36 via Core Engine