Page last updated: 2024-11-12

N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

Cross-References

ID SourceID
PubMed CID10206158
CHEMBL ID450775
CHEBI ID94389
SCHEMBL ID453656

Synonyms (28)

Synonym
CHEMBL450775
A6561
n-[(r)-2,3 -dihydroxy-propoxy]-3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-benzamide
FT-0673534
HMS3244G07
HMS3244G08
HMS3244H07
(s)-n-(2,3-dihydroxypropoxy)-3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)benzamide
AKOS015896067
BRD-A50454580-001-01-1
SCHEMBL453656
n-(2,3-dihydroxy-propoxy)-3,4-difluoro-2-(2-fluoro-4iodo-phenylamino)-benzamide
n-(2,3-dihydroxy-propoxy)-3,4-difluoro-2-(2-fluoro-4-iodo-phenylamino)-benzamide
ES-0007
mfcd09909925
n-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-iodophenylamino)benzamide
AC-25484
CHEBI:94389
HMS3654C09
NCGC00189075-02
n-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide
Q27166235
n-(2,3-dihydroxypropoxy)-3,4-difluoro-2-((2-fluoro-4-iodophenyl)amino)benzamide
BCP01841
SB16502
HMS3295C05
STARBLD0007236
DTXSID30861545

Research Excerpts

Bioavailability

ExcerptReferenceRelevance
"The ATP-binding cassette transporter P-glycoprotein (P-gp) is known to limit both brain penetration and oral bioavailability of many chemotherapy drugs."( A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Ambudkar, SV; Brimacombe, KR; Chen, L; Gottesman, MM; Guha, R; Hall, MD; Klumpp-Thomas, C; Lee, OW; Lee, TD; Lusvarghi, S; Robey, RW; Shen, M; Tebase, BG, 2019
)
0.51
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Drug Classes (1)

ClassDescription
aminobenzoic acid
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein Targets (2)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Dual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)IC50 (µMol)0.00090.00020.46539.7000AID689334
Dual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)IC50 (µMol)0.00080.00020.68139.7000AID689334; AID689335
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (37)

Processvia Protein(s)Taxonomy
heart developmentDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
positive regulation of gene expressionDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
Schwann cell developmentDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
thyroid gland developmentDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
regulation of stress-activated MAPK cascadeDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
peptidyl-serine autophosphorylationDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
ERBB2-ERBB3 signaling pathwayDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
myelinationDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
positive regulation of DNA-templated transcriptionDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
insulin-like growth factor receptor signaling pathwayDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
thymus developmentDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
regulation of axon regenerationDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
positive regulation of axonogenesisDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
face developmentDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
trachea formationDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
epithelial cell proliferation involved in lung morphogenesisDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
ERK1 and ERK2 cascadeDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
positive regulation of protein serine/threonine kinase activityDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
regulation of Golgi inheritanceDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
positive regulation of cell motilityDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
regulation of early endosome to late endosome transportDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
MAPK cascadeDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
chemotaxisDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
signal transductionDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
heart developmentDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
negative regulation of cell population proliferationDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
positive regulation of gene expressionDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
Schwann cell developmentDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
cerebellar cortex formationDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
keratinocyte differentiationDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
thyroid gland developmentDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
regulation of stress-activated MAPK cascadeDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
endodermal cell differentiationDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
ERBB2-ERBB3 signaling pathwayDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
myelinationDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
type B pancreatic cell proliferationDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
positive regulation of DNA-templated transcriptionDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
insulin-like growth factor receptor signaling pathwayDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
thymus developmentDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
regulation of axon regenerationDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
cell motilityDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
positive regulation of axonogenesisDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
Bergmann glial cell differentiationDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
face developmentDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
trachea formationDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
epithelial cell proliferation involved in lung morphogenesisDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
placenta blood vessel developmentDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
labyrinthine layer developmentDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
ERK1 and ERK2 cascadeDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
positive regulation of ERK1 and ERK2 cascadeDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
positive regulation of protein serine/threonine kinase activityDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
regulation of Golgi inheritanceDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
cellular senescenceDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
positive regulation of endodermal cell differentiationDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
regulation of early endosome to late endosome transportDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
neuron differentiationDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
MAPK cascadeDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (14)

Processvia Protein(s)Taxonomy
protein serine/threonine kinase activityDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
MAP kinase kinase activityDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
protein serine/threonine/tyrosine kinase activityDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
protein tyrosine kinase activityDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
MAP-kinase scaffold activityDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
protein bindingDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
ATP bindingDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
PDZ domain bindingDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
protein serine/threonine kinase activator activityDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
metal ion bindingDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
scaffold protein bindingDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
protein serine kinase activityDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
protein kinase activityDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
protein serine/threonine kinase activityDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
MAP kinase kinase activityDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
protein serine/threonine/tyrosine kinase activityDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
protein tyrosine kinase activityDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
MAP-kinase scaffold activityDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
protein bindingDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
ATP bindingDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
protein kinase activator activityDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
protein serine/threonine kinase activator activityDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
scaffold protein bindingDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
protein serine kinase activityDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (16)

Processvia Protein(s)Taxonomy
extracellular regionDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
nucleusDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
mitochondrionDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
early endosomeDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
late endosomeDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
peroxisomal membraneDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
endoplasmic reticulumDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
Golgi apparatusDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
cytosolDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
microtubuleDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
cell-cell junctionDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
focal adhesionDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
cytoplasmic side of plasma membraneDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
perinuclear region of cytoplasmDual specificity mitogen-activated protein kinase kinase 2Homo sapiens (human)
nucleusDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
mitochondrionDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
early endosomeDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
late endosomeDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
endoplasmic reticulumDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
Golgi apparatusDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
centrosomeDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
cytosolDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
plasma membraneDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
focal adhesionDual specificity mitogen-activated protein kinase kinase 1Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (10)

Assay IDTitleYearJournalArticle
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347159Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347411qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Mechanism Interrogation Plate v5.0 (MIPE) Libary2020ACS chemical biology, 07-17, Volume: 15, Issue:7
High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
AID1347160Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors2020Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49
Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID410380Inhibition of MEK-stimulated ERK phosphorylation in PDGF-stimulated mouse C26 cells treated as single oral dose before PDGF challenge by whole cell assay2008Bioorganic & medicinal chemistry letters, Dec-15, Volume: 18, Issue:24
The discovery of the benzhydroxamate MEK inhibitors CI-1040 and PD 0325901.
AID689334Inhibition of MEK-mediated ERK T202/Y204 phosphorylation in human MDA-MB-231T cells after 1 hr by immunoblotting2012ACS medicinal chemistry letters, May-10, Volume: 3, Issue:5
Novel Carboxamide-Based Allosteric MEK Inhibitors: Discovery and Optimization Efforts toward XL518 (GDC-0973).
AID410381Aqueous solubility in phosphate buffer at pH 6.52008Bioorganic & medicinal chemistry letters, Dec-15, Volume: 18, Issue:24
The discovery of the benzhydroxamate MEK inhibitors CI-1040 and PD 0325901.
AID689335Inhibition of MEK1-mediated ERK2 T202/Y204 phosphorylation using biotinylated MBP as substrate preincubated for 30 mins measured after 100 mins by cRAF-MEK-ERK enzyme coupled assay2012ACS medicinal chemistry letters, May-10, Volume: 3, Issue:5
Novel Carboxamide-Based Allosteric MEK Inhibitors: Discovery and Optimization Efforts toward XL518 (GDC-0973).
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (6)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (16.67)29.6817
2010's2 (33.33)24.3611
2020's3 (50.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 13.26

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index13.26 (24.57)
Research Supply Index1.95 (2.92)
Research Growth Index5.21 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (13.26)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other6 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]