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> Main
CHEBI:90295 - PLX-4720
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ChEBI Name
PLX-4720
ChEBI ID
CHEBI:90295
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-chlorophenyl group has been replaced by chlorine.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).
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Bijay
Supplier Information
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Formula
C17H14ClF2N3O3S
Net Charge
0
Average Mass
413.828
Monoisotopic Mass
413.04125
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
SMILES
C(CC)S(NC1=CC=C(C(=C1F)C(C=2C3=C(N=CC(=C3)Cl)NC2)=O)F)(=O)=O
Roles Classification
Biological Role
(s):
B-Raf inhibitor
A serine/threonine kinase inhibitor that specifically inhibits human mutant serine/threonine kinase (B-Raf)
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
PLX-4720 (
CHEBI:90295
)
has role
antineoplastic agent (
CHEBI:35610
)
PLX-4720 (
CHEBI:90295
)
has role
B-Raf inhibitor (
CHEBI:75047
)
PLX-4720 (
CHEBI:90295
)
is a
aromatic ketone (
CHEBI:76224
)
PLX-4720 (
CHEBI:90295
)
is a
difluorobenzene (
CHEBI:38582
)
PLX-4720 (
CHEBI:90295
)
is a
organochlorine compound (
CHEBI:36683
)
PLX-4720 (
CHEBI:90295
)
is a
pyrrolopyridine (
CHEBI:46771
)
PLX-4720 (
CHEBI:90295
)
is a
sulfonamide (
CHEBI:35358
)
IUPAC Name
N
-
{3-
[(5-
chloro-
1
H
-
pyrrolo[2,3-
b
]pyridin-
3-
yl)carbonyl]-
2,4-
difluorophenyl}propane-
1-
sulfonamide
Synonyms
Sources
N
-
[3-
(5-
chloro-
1
H
-
pyrrolo[2,3-
b
]pyridine-
3-
carbonyl)-
2,4-
difluorophenyl]propane-
1-
sulfonamide
ChemIDplus
PLX 4720
ChemIDplus
PLX4720
ChemIDplus
Manual Xrefs
Databases
324
PDBeChem
LSM-1049
LINCS
View more database links
Registry Numbers
Types
Sources
12833018
Reaxys Registry Number
Reaxys
918505-84-7
CAS Registry Number
ChemIDplus
Citations
Types
Sources
20818433
PubMed citation
Europe PMC
21088259
PubMed citation
Europe PMC
21134546
PubMed citation
Europe PMC
21355020
PubMed citation
Europe PMC
21738740
PubMed citation
Europe PMC
22858545
PubMed citation
Europe PMC
22941213
PubMed citation
Europe PMC
24735766
PubMed citation
Europe PMC
25544599
PubMed citation
Europe PMC
26347528
PubMed citation
Europe PMC
26456124
PubMed citation
Europe PMC
Last Modified
24 February 2016