ale 0540 profile

ALE 0540: structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

ID Source	ID
PubMed CID	2826530
CHEMBL ID	440470
SCHEMBL ID	3857057
MeSH ID	M0305535

Synonym
2-(2-hydroxyethylamino)-5-nitrobenzo[de]isoquinoline-1,3-dione
OPREA1_821712
CHEMBL440470 ,
bdbm50111443
2-(2-hydroxy-ethylamino)-5-nitro-benzo[de]isoquinoline-1,3-dione(ale-0540)
ale0540
234779-34-1
1h-benz(de)isoquinoline-1,3(2h)-dione, 2-((2-hydroxyethyl)amino)-5-nitro-
ale-0540
unii-1r1l47bxmj
1r1l47bxmj ,
ale 0540
SCHEMBL3857057
Q27252774
2-(2-hydroxy-ethylamino)-5-nitro-benzo[de]isoquinoline-
1,3-dione
3-[(2-hydroxyethyl)amino]-7-nitro-3-azatricyclo[7.3.1.0,]trideca-1(13),5,7,9,11-pentaene-2,4-dione
2-(2-hydroxy-ethylamino)-5-nitro-benzo[de]isoquinoline- 1,3-dione
PD159983
2-[(2-hydroxyethyl)amino]-5-nitro-2,3-dihydro-1h-benzo[de]isoquinoline-1,3-dione
2-((2-hydroxyethyl)amino)-5-nitro-1h-benzo[de]isoquinoline-1,3(2h)-dione

Protein Targets (3)

Inhibition Measurements

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
High affinity nerve growth factor receptor	Homo sapiens (human)	IC50 (µMol)	52.8667	0.0002	0.5436	10.0000	AID1322459; AID214634; AID214635
Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)	IC50 (µMol)	151.8600	0.2000	1.9600	3.7200	AID1322457; AID147188
High affinity nerve growth factor receptor	Rattus norvegicus (Norway rat)	IC50 (µMol)	5.8800	5.8800	5.8800	5.8800	AID1322452
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Activation Measurements

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (69)

Process	via Protein(s)	Taxonomy
cellular response to amyloid-beta	High affinity nerve growth factor receptor	Homo sapiens (human)
positive regulation of protein phosphorylation	High affinity nerve growth factor receptor	Homo sapiens (human)
protein phosphorylation	High affinity nerve growth factor receptor	Homo sapiens (human)
axon guidance	High affinity nerve growth factor receptor	Homo sapiens (human)
learning or memory	High affinity nerve growth factor receptor	Homo sapiens (human)
circadian rhythm	High affinity nerve growth factor receptor	Homo sapiens (human)
negative regulation of cell population proliferation	High affinity nerve growth factor receptor	Homo sapiens (human)
response to xenobiotic stimulus	High affinity nerve growth factor receptor	Homo sapiens (human)
programmed cell death involved in cell development	High affinity nerve growth factor receptor	Homo sapiens (human)
positive regulation of neuron projection development	High affinity nerve growth factor receptor	Homo sapiens (human)
peptidyl-tyrosine phosphorylation	High affinity nerve growth factor receptor	Homo sapiens (human)
olfactory nerve development	High affinity nerve growth factor receptor	Homo sapiens (human)
B cell differentiation	High affinity nerve growth factor receptor	Homo sapiens (human)
response to nutrient levels	High affinity nerve growth factor receptor	Homo sapiens (human)
peptidyl-tyrosine autophosphorylation	High affinity nerve growth factor receptor	Homo sapiens (human)
nerve growth factor signaling pathway	High affinity nerve growth factor receptor	Homo sapiens (human)
mechanoreceptor differentiation	High affinity nerve growth factor receptor	Homo sapiens (human)
negative regulation of apoptotic process	High affinity nerve growth factor receptor	Homo sapiens (human)
positive regulation of programmed cell death	High affinity nerve growth factor receptor	Homo sapiens (human)
negative regulation of neuron apoptotic process	High affinity nerve growth factor receptor	Homo sapiens (human)
positive regulation of GTPase activity	High affinity nerve growth factor receptor	Homo sapiens (human)
positive regulation of Ras protein signal transduction	High affinity nerve growth factor receptor	Homo sapiens (human)
protein autophosphorylation	High affinity nerve growth factor receptor	Homo sapiens (human)
neurotrophin TRK receptor signaling pathway	High affinity nerve growth factor receptor	Homo sapiens (human)
ephrin receptor signaling pathway	High affinity nerve growth factor receptor	Homo sapiens (human)
sympathetic nervous system development	High affinity nerve growth factor receptor	Homo sapiens (human)
response to axon injury	High affinity nerve growth factor receptor	Homo sapiens (human)
detection of temperature stimulus involved in sensory perception of pain	High affinity nerve growth factor receptor	Homo sapiens (human)
detection of mechanical stimulus involved in sensory perception of pain	High affinity nerve growth factor receptor	Homo sapiens (human)
positive regulation of NF-kappaB transcription factor activity	High affinity nerve growth factor receptor	Homo sapiens (human)
neuron apoptotic process	High affinity nerve growth factor receptor	Homo sapiens (human)
response to hydrostatic pressure	High affinity nerve growth factor receptor	Homo sapiens (human)
response to electrical stimulus	High affinity nerve growth factor receptor	Homo sapiens (human)
positive regulation of synapse assembly	High affinity nerve growth factor receptor	Homo sapiens (human)
positive regulation of synaptic transmission, glutamatergic	High affinity nerve growth factor receptor	Homo sapiens (human)
Sertoli cell development	High affinity nerve growth factor receptor	Homo sapiens (human)
axonogenesis involved in innervation	High affinity nerve growth factor receptor	Homo sapiens (human)
behavioral response to formalin induced pain	High affinity nerve growth factor receptor	Homo sapiens (human)
positive regulation of ERK1 and ERK2 cascade	High affinity nerve growth factor receptor	Homo sapiens (human)
cellular response to nicotine	High affinity nerve growth factor receptor	Homo sapiens (human)
cellular response to nerve growth factor stimulus	High affinity nerve growth factor receptor	Homo sapiens (human)
multicellular organism development	High affinity nerve growth factor receptor	Homo sapiens (human)
positive regulation of kinase activity	High affinity nerve growth factor receptor	Homo sapiens (human)
cell surface receptor protein tyrosine kinase signaling pathway	High affinity nerve growth factor receptor	Homo sapiens (human)
positive regulation of ERK1 and ERK2 cascade	High affinity nerve growth factor receptor	Homo sapiens (human)
positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction	High affinity nerve growth factor receptor	Homo sapiens (human)
intracellular glucose homeostasis	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
intracellular protein transport	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
activation of cysteine-type endopeptidase activity involved in apoptotic process	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
Rho protein signal transduction	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
axon guidance	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
central nervous system development	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
fibroblast growth factor receptor signaling pathway	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
detection of temperature stimulus	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
nerve development	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
negative regulation of cell migration	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
hair follicle morphogenesis	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
circadian regulation of gene expression	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
dorsal aorta development	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
negative regulation of fibroblast growth factor receptor signaling pathway	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
odontogenesis of dentin-containing tooth	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
positive regulation of odontogenesis of dentin-containing tooth	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
glucose homeostasis	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
fibroblast proliferation	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
positive regulation of fibroblast proliferation	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
neuron apoptotic process	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
negative regulation of hair follicle development	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
presynaptic modulation of chemical synaptic transmission	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
positive regulation of protein localization to nucleus	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
positive regulation of miRNA transcription	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
negative regulation of blood vessel endothelial cell proliferation involved in sprouting angiogenesis	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
positive regulation of apoptotic signaling pathway	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (22)

Process	via Protein(s)	Taxonomy
protein tyrosine kinase activity	High affinity nerve growth factor receptor	Homo sapiens (human)
transmembrane receptor protein tyrosine kinase activity	High affinity nerve growth factor receptor	Homo sapiens (human)
GPI-linked ephrin receptor activity	High affinity nerve growth factor receptor	Homo sapiens (human)
neurotrophin p75 receptor binding	High affinity nerve growth factor receptor	Homo sapiens (human)
protein binding	High affinity nerve growth factor receptor	Homo sapiens (human)
ATP binding	High affinity nerve growth factor receptor	Homo sapiens (human)
nerve growth factor receptor activity	High affinity nerve growth factor receptor	Homo sapiens (human)
kinase binding	High affinity nerve growth factor receptor	Homo sapiens (human)
identical protein binding	High affinity nerve growth factor receptor	Homo sapiens (human)
protein homodimerization activity	High affinity nerve growth factor receptor	Homo sapiens (human)
nerve growth factor binding	High affinity nerve growth factor receptor	Homo sapiens (human)
neurotrophin binding	High affinity nerve growth factor receptor	Homo sapiens (human)
neurotrophin receptor activity	High affinity nerve growth factor receptor	Homo sapiens (human)
amyloid-beta binding	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
transmembrane signaling receptor activity	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
death receptor activity	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
protein binding	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
calmodulin binding	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
coreceptor activity	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
small GTPase binding	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
ubiquitin protein ligase binding	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
signaling receptor activity	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
neurotrophin binding	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
nerve growth factor binding	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
transmembrane receptor protein serine/threonine kinase activity	High affinity nerve growth factor receptor	Rattus norvegicus (Norway rat)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (26)

Process	via Protein(s)	Taxonomy
early endosome	High affinity nerve growth factor receptor	Homo sapiens (human)
late endosome	High affinity nerve growth factor receptor	Homo sapiens (human)
plasma membrane	High affinity nerve growth factor receptor	Homo sapiens (human)
cell surface	High affinity nerve growth factor receptor	Homo sapiens (human)
endosome membrane	High affinity nerve growth factor receptor	Homo sapiens (human)
dendrite	High affinity nerve growth factor receptor	Homo sapiens (human)
early endosome membrane	High affinity nerve growth factor receptor	Homo sapiens (human)
late endosome membrane	High affinity nerve growth factor receptor	Homo sapiens (human)
neuronal cell body	High affinity nerve growth factor receptor	Homo sapiens (human)
recycling endosome membrane	High affinity nerve growth factor receptor	Homo sapiens (human)
protein-containing complex	High affinity nerve growth factor receptor	Homo sapiens (human)
receptor complex	High affinity nerve growth factor receptor	Homo sapiens (human)
axon	High affinity nerve growth factor receptor	Homo sapiens (human)
plasma membrane	High affinity nerve growth factor receptor	Homo sapiens (human)
extracellular region	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
nucleoplasm	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
endosome	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
cytosol	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
plasma membrane	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
cell-cell junction	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
cell surface	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
postsynaptic density	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
membrane	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
growth cone	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
neuromuscular junction	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
dendritic spine	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
perikaryon	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
presynapse	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
plasma membrane	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
cell surface	Tumor necrosis factor receptor superfamily member 16	Homo sapiens (human)
Golgi membrane	High affinity nerve growth factor receptor	Rattus norvegicus (Norway rat)
plasma membrane	High affinity nerve growth factor receptor	Rattus norvegicus (Norway rat)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (12)

Assay ID	Title	Year	Journal	Article
AID1322457	Inhibition of mouse NGF binding to p75 (unknown origin) by SPR method	2017	Journal of medicinal chemistry, 01-12, Volume: 60, Issue:1	Targeting the Nerve Growth Factor (NGF) Pathway in Drug Discovery. Potential Applications to New Therapies for Chronic Pain.
AID1322459	Inhibition of mouse NGF binding to TrkA (unknown origin) by SPR method	2017	Journal of medicinal chemistry, 01-12, Volume: 60, Issue:1	Targeting the Nerve Growth Factor (NGF) Pathway in Drug Discovery. Potential Applications to New Therapies for Chronic Pain.
AID1322454	Inhibition of mechanical allodynia ip dosed rat model of L5/L6 nerve ligation injury	2017	Journal of medicinal chemistry, 01-12, Volume: 60, Issue:1	Targeting the Nerve Growth Factor (NGF) Pathway in Drug Discovery. Potential Applications to New Therapies for Chronic Pain.
AID1322452	Inhibition of binding of [125I]-NGF to TrkA in rat PC12 cells incubated for 2 hrs by gamma counting method	2017	Journal of medicinal chemistry, 01-12, Volume: 60, Issue:1	Targeting the Nerve Growth Factor (NGF) Pathway in Drug Discovery. Potential Applications to New Therapies for Chronic Pain.
AID1322456	Inhibition of thermal sensitization-induced tactile allodynia in it dosed rat model of L5/L6 nerve ligation injury	2017	Journal of medicinal chemistry, 01-12, Volume: 60, Issue:1	Targeting the Nerve Growth Factor (NGF) Pathway in Drug Discovery. Potential Applications to New Therapies for Chronic Pain.
AID1322458	Inhibition of mouse NGF binding to p75 (unknown origin) by SPR method relative to control	2017	Journal of medicinal chemistry, 01-12, Volume: 60, Issue:1	Targeting the Nerve Growth Factor (NGF) Pathway in Drug Discovery. Potential Applications to New Therapies for Chronic Pain.
AID214635	Inhibition of NGF-stimulated Trk A in PC12 cells	2002	Journal of medicinal chemistry, Apr-11, Volume: 45, Issue:8	Inhibition of protein-protein association by small molecules: approaches and progress.
AID1322460	Inhibition of mouse NGF binding to TrkA (unknown origin) by SPR method relative to control	2017	Journal of medicinal chemistry, 01-12, Volume: 60, Issue:1	Targeting the Nerve Growth Factor (NGF) Pathway in Drug Discovery. Potential Applications to New Therapies for Chronic Pain.
AID1322453	Inhibition of NGF-induced TrkA auto-phosphorylation in rat PC12 cells incubated for 15 mins by chemiluminescence based method	2017	Journal of medicinal chemistry, 01-12, Volume: 60, Issue:1	Targeting the Nerve Growth Factor (NGF) Pathway in Drug Discovery. Potential Applications to New Therapies for Chronic Pain.
AID1322455	Inhibition of mechanical allodynia in it dosed rat model of L5/L6 nerve ligation injury	2017	Journal of medicinal chemistry, 01-12, Volume: 60, Issue:1	Targeting the Nerve Growth Factor (NGF) Pathway in Drug Discovery. Potential Applications to New Therapies for Chronic Pain.
AID214634	Inhibition of NGF-stimulated Trk A	2002	Journal of medicinal chemistry, Apr-11, Volume: 45, Issue:8	Inhibition of protein-protein association by small molecules: approaches and progress.
AID147188	Competitive binding against Nerve growth factor to p75-NGF receptor in PC12 cells	2002	Journal of medicinal chemistry, Apr-11, Volume: 45, Issue:8	Inhibition of protein-protein association by small molecules: approaches and progress.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	1 (16.67)	18.2507
2000's	1 (16.67)	29.6817
2010's	4 (66.67)	24.3611
2020's	0 (0.00)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	2 (28.57%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	5 (71.43%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
pteridines [no description available]	2.8	3	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; pteridines
w 7 W 7: RN given refers to parent cpd; structure; calmodulin antagonist	3.11	1
quinazolines Quinazolines: A group of aromatic heterocyclic compounds that contain a bicyclic structure with two fused six-membered aromatic rings, a benzene ring and a pyrimidine ring.. quinazoline : A mancude organic heterobicyclic parent that is naphthalene in which the carbon atoms at positions 1 and 3 have been replaced by nitrogen atoms.. quinazolines : Any organic heterobicyclic compound based on a quinazoline skeleton and its substituted derivatives.	2.51	2	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines
tak 779 [no description available]	3.11	1
geldanamycin [no description available]	3.11	1	1,4-benzoquinones; ansamycin; carbamate ester; organic heterobicyclic compound	antimicrobial agent; antineoplastic agent; antiviral agent; cysteine protease inhibitor; Hsp90 inhibitor
morphine Meconium: The thick green-to-black mucilaginous material found in the intestines of a full-term fetus. It consists of secretions of the INTESTINAL GLANDS; BILE PIGMENTS; FATTY ACIDS; AMNIOTIC FLUID; and intrauterine debris. It constitutes the first stools passed by a newborn.	2	1	morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound	anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic
pmx 53 [no description available]	3.11	1
pd 90780 PD 90780: a nonpeptide inhibitor of nerve growth factor; structure given in first source	3.91	3
2,3,4,10-tetrahydro-7,10-dimethyl-2,4-dioxobenzo(g)pteridine [no description available]	3.25	1	flavin

Condition	Relationship Strength	Studies
Pain, Chronic [description not available]	3.06	1
Chronic Pain Aching sensation that persists for more than a few months. It may or may not be associated with trauma or disease, and may persist after the initial injury has healed. Its localization, character, and timing are more vague than with acute pain.	3.06	1
Innate Inflammatory Response [description not available]	2	1
Nerve Pain [description not available]	2	1
Ache [description not available]	2	1
Inflammation A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.	2	1
Neuralgia Intense or aching pain that occurs along the course or distribution of a peripheral or cranial nerve.	2	1
Pain An unpleasant sensation induced by noxious stimuli which are detected by NERVE ENDINGS of NOCICEPTIVE NEURONS.	2	1

ale 0540

Description

Cross-References

Synonyms (21)

Protein Targets (3)

Inhibition Measurements

Activation Measurements

Biological Processes (69)

Molecular Functions (22)

Ceullar Components (26)

Bioassays (12)

Research

Studies (6)

Market Indicators

Research Demand Index: 13.00

Study Types

ale 0540

Description

Cross-References

Synonyms (21)

Protein Targets (3)

Inhibition Measurements

Activation Measurements

Biological Processes (69)

Molecular Functions (22)

Ceullar Components (26)

Bioassays (12)

Research

Studies (6)

Market Indicators

Research Demand Index: 13.00

Study Types

Related Drugs (9)

Related Conditions (8)