loading...| Preferred Name |
PLX-4720 |
| Synonyms |
N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide PLX 4720 N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide PLX4720 |
| Definitions |
A pyrrolopyridine that is vemurafenib in which the p-chlorophenyl group has been replaced by chlorine. It is a potent and selective inhibitor of the Raf kinase B-Raf(V600E). |
| ID |
http://purl.obolibrary.org/obo/CHEBI_90295 |
| charge |
0 |
| database_cross_reference |
PMID:26347528 PMID:20818433 PMID:25544599 LINCS:LSM-1049 PMID:21738740 PMID:21355020 CAS:918505-84-7 PMID:21088259 PMID:24735766 PMID:26456124 PMID:22941213 Reaxys:12833018 PMID:22858545 PMID:21134546 PDBeChem:324 |
| definition |
A pyrrolopyridine that is vemurafenib in which the p-chlorophenyl group has been replaced by chlorine. It is a potent and selective inhibitor of the Raf kinase B-Raf(V600E). |
| formula |
C17H14ClF2N3O3S |
| has role | |
| has_exact_synonym |
N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide |
| has_obo_namespace |
chebi_ontology |
| has_related_synonym |
N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide PLX 4720 PLX4720 |
| id |
CHEBI:90295 |
| in_subset | |
| inchi |
InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22) |
| inchikey |
YZDJQTHVDDOVHR-UHFFFAOYSA-N |
| label |
PLX-4720 |
| mass |
413.828 |
| monoisotopicmass |
413.04125 |
| notation |
CHEBI:90295 |
| prefLabel |
PLX-4720 |
| smiles |
C(CC)S(NC1=CC=C(C(=C1F)C(C=2C3=C(N=CC(=C3)Cl)NC2)=O)F)(=O)=O |
| treeView |
http://purl.obolibrary.org/obo/CHEBI_36683 http://purl.obolibrary.org/obo/CHEBI_46771 http://purl.obolibrary.org/obo/CHEBI_35358 |
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_36683 http://purl.obolibrary.org/obo/CHEBI_46771 http://purl.obolibrary.org/obo/CHEBI_35358 |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://purl.bioontology.org/ontology/MESH/C528407 | Medical Subject Headings / 医学主题词表 | LOOM |