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> Main
CHEBI:90864 - sonidegib phosphate
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ChEBI Name
sonidegib phosphate
ChEBI ID
CHEBI:90864
Definition
A phosphate salt obtained by reaction sonidegib with two equivalent of phosphoric acid. Used for treatment of locally advanced basal cell carcinoma.
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This entity has been manually annotated by the ChEBI Team.
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Read full article at Wikipedia
Formula
C26H32F3N3O11P2
Net Charge
0
Average Mass
681.490
Monoisotopic Mass
681.14642
InChI
InChI=1S/C26H26F3N3O3.2H3O4P/c1-
16-
14-
32(15-
17(2)
34-
16)
24-
12-
9-
20(13-
30-
24)
31-
25(33)
23-
6-
4-
5-
22(18(23)
3)
19-
7-
10-
21(11-
8-
19)
35-
26(27,28)
29;2*1-
5(2,3)
4/h4-
13,16-
17H,14-
15H2,1-
3H3,(H,31,33)
;2*(H3,1,2,3,4)
/t16-
,17+;;
InChIKey
RWIVSVMMGFFZIJ-VWDRLOGHSA-N
SMILES
O1[C@H]
(CN(C[C@H]
1C)
C2=NC=C(C=C2)
NC(C3=CC=CC(=C3C)
C4=CC=C(C=C4)
OC(F)
(F)
F)
=O)
C.P(=O)
(O)
(O)
O.P(=O)
(O)
(O)
O
Roles Classification
Biological Role
(s):
Hedgehog signaling pathway inhibitor
Any pathway inhibitor that inhibits the Hedgehog signalling pathway.
SMO receptor antagonist
An antagonist that interferes with the action of smoothened (SMO) receptor.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
sonidegib phosphate (
CHEBI:90864
)
has part
sonidegib (
CHEBI:90863
)
sonidegib phosphate (
CHEBI:90864
)
has role
antineoplastic agent (
CHEBI:35610
)
sonidegib phosphate (
CHEBI:90864
)
has role
Hedgehog signaling pathway inhibitor (
CHEBI:140921
)
sonidegib phosphate (
CHEBI:90864
)
has role
SMO receptor antagonist (
CHEBI:66908
)
sonidegib phosphate (
CHEBI:90864
)
is a
phosphate salt (
CHEBI:37853
)
IUPAC Name
rel
-
N
-
{6-
[(2
R
,6
S
)-
2,6-
dimethylmorpholin-
4-
yl]pyridin-
3-
yl}-
2-
methyl-
4'-
(trifluoromethoxy)[1,1'-
biphenyl]-
3-
carboxamide bis(phosphate)
INN
Source
sonidegib phosphate
ChemIDplus
Synonyms
Sources
sonidegib bisphosphate
ChEBI
sonidegib diphosphate
ChEBI
Brand Name
Source
Odomzo
KEGG DRUG
Manual Xrefs
Databases
D10729
KEGG DRUG
Sonidegib
Wikipedia
View more database links
Registry Numbers
Types
Sources
1218778-77-8
CAS Registry Number
ChemIDplus
1218778-77-8
CAS Registry Number
KEGG DRUG
27699342
Reaxys Registry Number
Reaxys
Citations
Types
Sources
26323341
PubMed citation
Europe PMC
PMC4571841
PubMed Central citation
Europe PMC
Last Modified
01 June 2018