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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:75045 - dabrafenib
Main
ChEBI Ontology
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ChEBI Name
dabrafenib
ChEBI ID
CHEBI:75045
Definition
An organofluorine compound and antineoplastic agent, used as its mesylate salt in treatment of metastatic melanoma.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Molfile
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Read full article at Wikipedia
Formula
C23H20F3N5O2S2
Net Charge
0
Average Mass
519.56200
Monoisotopic Mass
519.10105
InChI
InChI=1S/C23H20F3N5O2S2/c1-
23(2,3)
21-
30-
18(19(34-
21)
16-
10-
11-
28-
22(27)
29-
16)
12-
6-
4-
9-
15(17(12)
26)
31-
35(32,33)
20-
13(24)
7-
5-
8-
14(20)
25/h4-
11,31H,1-
3H3,(H2,27,28,29)
InChIKey
BFSMGDJOXZAERB-UHFFFAOYSA-N
SMILES
CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(s1)-c1ccnc(N)n1
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
Biological Role
(s):
anticoronaviral agent
Any antiviral agent which inhibits the activity of coronaviruses.
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
dabrafenib (
CHEBI:75045
)
has role
anticoronaviral agent (
CHEBI:149553
)
dabrafenib (
CHEBI:75045
)
has role
antineoplastic agent (
CHEBI:35610
)
dabrafenib (
CHEBI:75045
)
has role
B-Raf inhibitor (
CHEBI:75047
)
dabrafenib (
CHEBI:75045
)
is a
1,3-thiazoles (
CHEBI:38418
)
dabrafenib (
CHEBI:75045
)
is a
aminopyrimidine (
CHEBI:38338
)
dabrafenib (
CHEBI:75045
)
is a
organofluorine compound (
CHEBI:37143
)
dabrafenib (
CHEBI:75045
)
is a
sulfonamide (
CHEBI:35358
)
Incoming
dabrafenib mesylate (
CHEBI:75048
)
has part
dabrafenib (
CHEBI:75045
)
IUPAC Name
N
-
{3-
[5-
(2-
aminopyrimidin-
4-
yl)-
2-
tert
-
butyl-
1,3-
thiazol-
4-
yl]-
2-
fluorophenyl}-
2,6-
difluorobenzenesulfonamide
INN
Source
dabrafenib
ChemIDplus
Manual Xrefs
Databases
4801
DrugCentral
D10064
KEGG DRUG
Dabrafenib
Wikipedia
LSM-6303
LINCS
WO2011047238
Patent
View more database links
Registry Numbers
Types
Sources
1195765-45-7
CAS Registry Number
ChemIDplus
19689971
Reaxys Registry Number
Reaxys
Citations
Types
Sources
22981500
PubMed citation
Europe PMC
23237741
PubMed citation
Europe PMC
23249624
PubMed citation
Europe PMC
23276366
PubMed citation
Europe PMC
23290787
PubMed citation
Europe PMC
23317446
PubMed citation
Europe PMC
23403819
PubMed citation
Europe PMC
23463215
PubMed citation
Europe PMC
23470635
PubMed citation
Europe PMC
23515890
PubMed citation
Europe PMC
23537694
PubMed citation
Europe PMC
23552670
PubMed citation
Europe PMC
23608920
PubMed citation
Europe PMC
23617957
PubMed citation
Europe PMC
23621583
PubMed citation
Europe PMC
23656699
PubMed citation
Europe PMC
23709751
PubMed citation
Europe PMC
23714462
PubMed citation
Europe PMC
23795808
PubMed citation
Europe PMC
23807941
PubMed citation
Europe PMC
23833299
PubMed citation
Europe PMC
23844038
PubMed citation
Europe PMC
23846776
PubMed citation
Europe PMC
23870055
PubMed citation
Europe PMC
23881668
PubMed citation
Europe PMC
Last Modified
23 April 2020