Compound Detail
CHEMBL1976696
DIHYDROGUAIARETIC ACID Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1976696 |
| Name | DIHYDROGUAIARETIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADFOLUXMYYCTRR-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
4.17
ALogP
4
HBA
2
HBD
58.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.2
IC50 1 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcription factor AP1 CHEMBL2111421 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| Transthyretin CHEMBL3194 | EC50 | 5.2 | 5.2 | 6300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 6.7 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription factor AP1 | IC50 | = | 210.0 | nM | 6.68 | Inhibition of Fos-Jun dimer formation (unknown origin) | 24831826 |
| Transthyretin | EC50 | = | 6300.0 | nM | 5.2 | Inhibition of TTR V30M mutant (unknown origin) expressed in Escherichia coli ass... | 25314129 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25314129 | 10.1021/jm500997m | Transthyretin | 4 |
| 26439661 | 10.1016/j.bmc.2015.09.039 | No relevant target | 3 |
| 12147760 | 10.1146/annurev.phyto.40.032602.130045 | Caenorhabditis elegans | 1 |
| 24831826 | 10.1021/jm5004733 | Transcription factor AP1 | 1 |
Data from ChEMBL 36 via Core Engine