Molecule Details
| InChIKey | HSHNITRMYYLLCV-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-Methylumbelliferone |
| Canonical SMILES | Cc1cc(=O)oc2cc(O)ccc12 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.12 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07118 |
|---|---|
| Drug Name | Hymecromone |
| CAS Number | 90-33-5 |
| Groups | investigational |
| ATC Codes | A05AX02 |
| Description | nan |
Categories: Alimentary Tract and Metabolism Benzopyrans Bile Therapy Bile and Liver Therapy Compounds used in a research, industrial, or household setting Coumarins Heterocyclic Compounds, Fused-Ring Indicators and Reagents Laboratory Chemicals Pyrans Umbelliferones
Cross-references: BindingDB: 50022178 ChEBI: 17224 CHEMBL12208 ChemSpider: 4444190 C03081 PDB: 4MU PharmGKB: PA154081778 PubChem:5280567 PubChem:99443589 RxCUI: 5556 Wikipedia: Hymecromone ZINC: ZINC000000058121
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.2 | pIC50 | TTD_MultiTarget |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 6.2 | Ki | ChEMBL;BindingDB |
| P37058 | HSD17B3 | Homo sapiens | Human | PF00106 | 6.0 | IC50 | ChEMBL;BindingDB |
| P9WH10 | rmlC | Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh) | Pathogen | PF00908 | 6.0 | IC50 | BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| A0A0H2Z368 | A0A0H2Z368 | Arylsulfate sulfotransferase AssT | binder | targets |