Compound Detail
CHEMBL189362
FURFURAL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL189362 |
| Name | FURFURAL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYBBIBNJHNGZAN-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
96.1
MW (Da)
1.09
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | IC50 | = | 43000.0 | nM | 4.37 | Inhibition of Agaricus bisporus (mushroom) tyrosinase | 21476569 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15341482 | 10.1021/jm0498001 | ADMET | 3 |
| 20925380 | 10.1021/jf1025345 | Meloidogyne incognita | 3 |
| 23136941 | 10.1021/jf3038874 | Meloidogyne incognita | 3 |
| 21476569 | 10.1021/jf200485k | Unchecked | 2 |
| 34531949 | 10.1021/acsmedchemlett.1c00193 | Leishmania amazonensis | 2 |
| 22769561 | 10.1021/jf302075w | Meloidogyne incognita | 2 |
| 22224661 | 10.1021/jf2044586 | Meloidogyne javanica | 2 |
| 23379671 | 10.1021/jf305164m | Meloidogyne incognita | 2 |
| 34531949 | 10.1021/acsmedchemlett.1c00193 | Leishmania infantum | 1 |
| 34531949 | 10.1021/acsmedchemlett.1c00193 | Peritoneal macrophage | 1 |
| 30376325 | 10.1021/acs.jmedchem.8b01602 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
| 31097402 | 10.1016/j.bmc.2019.05.001 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
| 28197313 | 10.1021/acsmedchemlett.6b00417 | Myeloperoxidase | 1 |
| 25278230 | 10.1016/j.bmcl.2014.09.028 | No relevant target | 1 |
| 21476569 | 10.1021/jf200485k | Tyrosinase | 1 |
| 21476569 | 10.1021/jf200485k | Aldehyde oxidase 1 | 1 |
| 17381079 | 10.1021/jm061425k | Replicase polyprotein 1a | 1 |
Data from ChEMBL 36 via Core Engine