Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:49603 - lapatinib
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
lapatinib
ChEBI ID
CHEBI:49603
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:38636, CHEBI:49602
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
more structures >>
Molfile
expand
Wikipedia
License
Read full article at Wikipedia
Formula
C29H26ClFN4O4S
Net Charge
0
Average Mass
581.05840
Monoisotopic Mass
580.13473
InChI
InChI=1S/C29H26ClFN4O4S/c1-
40(36,37)
12-
11-
32-
16-
23-
7-
10-
27(39-
23)
20-
5-
8-
26-
24(14-
20)
29(34-
18-
33-
26)
35-
22-
6-
9-
28(25(30)
15-
22)
38-
17-
19-
3-
2-
4-
21(31)
13-
19/h2-
10,13-
15,18,32H,11-
12,16-
17H2,1H3,(H,33,34,35)
InChIKey
BCFGMOOMADDAQU-UHFFFAOYSA-N
SMILES
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
Roles Classification
Biological Role
(s):
tyrosine kinase inhibitor
Any protein kinase inhibitor that interferes with the action of tyrosine kinase.
Application
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
lapatinib (
CHEBI:49603
)
has functional parent
monofluorobenzene (
CHEBI:5115
)
lapatinib (
CHEBI:49603
)
has role
antineoplastic agent (
CHEBI:35610
)
lapatinib (
CHEBI:49603
)
has role
tyrosine kinase inhibitor (
CHEBI:38637
)
lapatinib (
CHEBI:49603
)
is a
furans (
CHEBI:24129
)
lapatinib (
CHEBI:49603
)
is a
organochlorine compound (
CHEBI:36683
)
lapatinib (
CHEBI:49603
)
is a
organofluorine compound (
CHEBI:37143
)
lapatinib (
CHEBI:49603
)
is a
quinazolines (
CHEBI:38530
)
IUPAC Name
N
-
[3-
chloro-
4-
(3-
fluorobenzyloxy)phenyl]-
6-
[5-
({[2-
(methanesulfonyl)ethyl]amino}methyl)furan-
2-
yl]quinazolin-
4-
amine
Synonyms
Sources
GW 572016
ChemIDplus
N-
(3-
chloro-
4-
((3-
fluorophenyl)methoxy)phenyl)-
6-
(5-
(((2-
(methylsulfonyl)ethyl)amino)methyl)-
2-
furanyl)-
4-
quinazolinamine
ChemIDplus
N-
{3-
CHLORO-
4-
[(3-
FLUOROBENZYL)OXY]PHENYL}-
6-
[5-
({[2-
(METHYLSULFONYL)ETHYL]AMINO}METHYL)-
2-
FURYL]-
4-
QUINAZOLINAMINE
PDBeChem
Tykerb
ChemIDplus
Manual Xrefs
Databases
1548
DrugCentral
DB01259
DrugBank
FMM
PDBeChem
Lapatinib
Wikipedia
LSM-1051
LINCS
View more database links
Registry Numbers
Types
Sources
10502247
Beilstein Registry Number
Beilstein
231277-92-2
CAS Registry Number
ChemIDplus
Last Modified
22 février 2017