Molecule Details
| InChIKey | AOCCBINRVIKJHY-UHFFFAOYSA-N |
|---|---|
| Compound Name | Carmofur |
| Canonical SMILES | CCCCCCNC(=O)n1cc(F)c(=O)[nH]c1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.52 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB09010 |
|---|---|
| Drug Name | Carmofur |
| CAS Number | 61422-45-5 |
| Groups | approved withdrawn |
| ATC Codes | L01BC04 |
| Description | Carmofur is a derivative of fluorouracil, and is an antineoplastic agent that has been used in the treatment of breast and colorectal cancer. Carmofur has been known to induce leukoencephalopathy. |
Categories: Antimetabolites Antineoplastic Agents Antineoplastic and Immunomodulating Agents Fluoropyrimidines Pyrimidine Analogues Pyrimidines Pyrimidinones
Cross-references: BindingDB: 50431275 ChEBI: 31360 CHEMBL460499 ChemSpider: 2479 D01784 PubChem:2577 PubChem:310264969 Wikipedia: Carmofur ZINC: ZINC000001542916
Target Activities (2)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13510 | ASAH1 | Homo sapiens | Human | PF02275 PF15508 | 6.7 | IC50 | ChEMBL;BindingDB |
| P0DTD1 | rep | Severe acute respiratory syndrome coronavirus 2 | Pathogen | PF13087 PF16251 PF11501 PF12379 PF12124 PF11633 PF06471 PF06460 PF09401 PF20631 PF20633 PF20632 PF19215 PF19216 PF19219 PF19211 PF19218 PF16348 PF19217 PF19213 PF08716 PF08717 PF08710 PF08715 PF06478 PF01661 PF05409 PF00680 | 6.3 | IC50 | ChEMBL;BindingDB |