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cobimetinib - Wikidata
cobimetinib
(Q15708292)
From Wikidata
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chemical compound
GDC-0973
XL-518
XL518
GDC 0973
RG 7420
Xl 518
RG7420
GDC0973
Cobimetinib
edit
Language
Label
Description
Also known as
English
cobimetinib
chemical compound
GDC-0973
XL-518
XL518
GDC 0973
RG 7420
Xl 518
RG7420
GDC0973
Cobimetinib
Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
has use
medication
0 references
chemical structure
Cobimetinib.svg
512 × 379; 5 KB
0 references
mass
531.063±0
dalton
1 reference
stated in
PubChem
PubChem CID
16222096
language of work or name
English
title
Cobimetinib
(English)
retrieved
19 October 2016
stereoisomer of
[3,4-Difluoro-2-(2-fluoro-4-iodoanilino)phenyl]{3-hydroxy-3-[(2R)-piperidin-2-yl]azetidin-1-yl}methanone
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₁F₃IN₃O₂
1 reference
stated in
PubChem
PubChem CID
16222096
language of work or name
English
title
Cobimetinib
(English)
retrieved
19 November 2016
canonical SMILES
C1CCNC(C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O
1 reference
stated in
PubChem
PubChem CID
16222096
language of work or name
English
title
Cobimetinib
(English)
retrieved
19 November 2016
isomeric SMILES
C1CCN[C@@H](C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O
1 reference
stated in
PubChem
PubChem CID
16222096
language of work or name
English
title
Cobimetinib
(English)
retrieved
19 November 2016
active ingredient in
Cotellic
1 reference
stated in
RxNorm
RxNorm ID
1722371
retrieved
14 February 2018
World Health Organisation international non-proprietary name
cobimetinib
(English)
1 reference
stated in
ChEBI
ChEBI ID
90851
language of work or name
English
title
cobimetinib
(English)
retrieved
19 October 2016
medical condition treated
metastatic melanoma
1 reference
stated in
Drug Indications Extracted from FAERS
retrieved
2 October 2018
melanoma
1 reference
stated in
Drug Indications Extracted from FAERS
retrieved
2 October 2018
physically interacts with
Mitogen-activated protein kinase kinase 1
subject has role
allosteric modulator
1 reference
stated in
IUPHAR/BPS Guide to PHARMACOLOGY
Guide to Pharmacology Ligand ID
7626
language of work or name
English
retrieved
17 August 2016
Mitogen-activated protein kinase kinase 2
subject has role
allosteric modulator
1 reference
stated in
IUPHAR/BPS Guide to PHARMACOLOGY
Guide to Pharmacology Ligand ID
7626
language of work or name
English
retrieved
17 August 2016
mitogen-activated protein kinase kinase 7
subject has role
allosteric modulator
1 reference
stated in
IUPHAR/BPS Guide to PHARMACOLOGY
Guide to Pharmacology Ligand ID
7626
language of work or name
English
retrieved
17 August 2016
Mitogen-activated protein kinase kinase 1
subject has role
reaction inhibitor
1 reference
stated in
Open Targets Platform
retrieved
14 August 2023
reference URL
https://platform.opentargets.org/drug/CHEMBL2146883
pregnancy category
Australian pregnancy category D
1 reference
imported from Wikimedia project
English Wikipedia
LiverTox likelihood score
LiverTox toxicity likelihood category D
1 reference
stated in
LiverTox
retrieved
8 April 2021
reference URL
https://www.ncbi.nlm.nih.gov/books/n/livertox/Cobimetinib
last update
1 June 2017
subject has role
protein kinase inhibitors
1 reference
stated in
NDF-RT
NDF-RT ID
N0000192139
retrieved
5 March 2018
Identifiers
InChI
InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2/t17-/m0/s1
1 reference
stated in
PubChem
PubChem CID
16222096
language of work or name
English
title
Cobimetinib
(English)
retrieved
19 November 2016
InChIKey
BSMCAPRUBJMWDF-KRWDZBQOSA-N
2 references
stated in
PubChem
PubChem CID
16222096
language of work or name
English
title
Cobimetinib
(English)
retrieved
19 November 2016
stated in
ChEBI release 2020-09-01
CAS Registry Number
934660-93-2
2 references
stated in
Global Substance Registration System
UNII
ER29L26N1X
language of work or name
English
title
cobimetinib
(English)
retrieved
19 November 2016
InChIKey
BSMCAPRUBJMWDF-KRWDZBQOSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=934660-93-2
ChemSpider ID
17349374
1 reference
stated in
ChemSpider
ChemSpider ID
17349374
language of work or name
English
title
Cobimetinib
(English)
retrieved
19 November 2016
PubChem CID
16222096
2 references
stated in
PubChem
PubChem CID
16222096
language of work or name
English
title
Cobimetinib
(English)
retrieved
19 November 2016
matched by identifier from
InChIKey
InChIKey
BSMCAPRUBJMWDF-KRWDZBQOSA-N
Reaxys registry number
12883594
1 reference
stated in
ChEBI
ChEBI ID
90851
language of work or name
English
title
cobimetinib
(English)
retrieved
19 October 2016
ChEBI ID
90851
mapping relation type
exact match
2 references
stated in
ChEBI
ChEBI ID
90851
language of work or name
English
title
cobimetinib
(English)
retrieved
19 October 2016
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H21F3IN3O2/c22-14-6-5-13(19(18(14)24)27-16-7-4-12(25)9-15(16)23)20(29)28-10-21(30,11-28)17-3-1-2-8-26-17/h4-7,9,17,26-27,30H,1-3,8,10-11H2/t17-/m0/s1
ChEMBL ID
CHEMBL2146883
1 reference
stated in
ChEMBL
ChEMBL ID
CHEMBL2146883
language of work or name
English
title
COBIMETINIB
(English)
retrieved
19 November 2016
SureChEMBL ID
SCHEMBL189565
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BSMCAPRUBJMWDF-KRWDZBQOSA-N
UniChem compound ID
27308527
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60239435
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
BSMCAPRUBJMWDF-KRWDZBQOSA-N
DSSTOX compound identifier
DTXCID80161926
0 references
LiverTox ID
Cobimetinib
0 references
ATC code
L01XE38
0 references
Guide to Pharmacology Ligand ID
7626
1 reference
stated in
IUPHAR/BPS Guide to PHARMACOLOGY
Guide to Pharmacology Ligand ID
7626
language of work or name
English
title
cobimetinib
(English)
retrieved
19 November 2016
RxNorm ID
1722365
1 reference
stated in
Global Substance Registration System
UNII
ER29L26N1X
language of work or name
English
title
cobimetinib
(English)
retrieved
19 November 2016
DrugBank ID
05239
1 reference
matched by identifier from
InChIKey
InChIKey
BSMCAPRUBJMWDF-KRWDZBQOSA-N
UNII
ER29L26N1X
2 references
stated in
Global Substance Registration System
UNII
ER29L26N1X
language of work or name
English
title
cobimetinib
(English)
retrieved
19 November 2016
matched by identifier from
InChIKey
InChIKey
BSMCAPRUBJMWDF-KRWDZBQOSA-N
MedlinePlus drug identifier
a615057
0 references
NDF-RT ID
N0000192139
1 reference
stated in
Global Substance Registration System
UNII
ER29L26N1X
language of work or name
English
title
cobimetinib
(English)
retrieved
19 November 2016
Probes And Drugs ID
PD009336
0 references
DrugCentral ID
5046
1 reference
stated in
UniChem
KEGG ID
D10405
1 reference
stated in
ChEBI
ChEBI ID
90851
language of work or name
English
title
cobimetinib
(English)
retrieved
19 October 2016
PDB ligand ID
EUI
0 references
Freebase ID
/m/0wqyv0d
0 references
Microsoft Academic ID
2779385430
0 references
PDB structure ID
4LMN
1 reference
stated in
Protein Data Bank
PDB structure ID
4LMN
language of work or name
English
title
4LMN
(English)
retrieved
19 October 2016
4AN2
1 reference
stated in
Protein Data Bank
PDB structure ID
4AN2
language of work or name
English
title
4AN2
(English)
retrieved
19 October 2016
UMLS CUI
C4049146
1 reference
stated in
Global Substance Registration System
UNII
ER29L26N1X
language of work or name
English
title
cobimetinib
(English)
retrieved
19 November 2016
WikiProjectMed ID
Cobimetinib
0 references
Sitelinks
Wikipedia
(5 entries)
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