3-(4-chlorophenyl)-2-methyl-3,3a,4,5-tetrahydrobenzo[g]indazole profile

ID Source	ID
PubMed CID	2738084
CHEMBL ID	1562796
CHEBI ID	121050

Synonym
OPREA1_326597
MLS000861937
smr000460721
3-(4-chlorophenyl)-2-methyl-3,3a,4,5-tetrahydro-2h-benzo[g]indazole
CHEBI:121050
3-(4-chlorophenyl)-2-methyl-3,3a,4,5-tetrahydrobenzo[g]indazole
HMS2805K11
CHEMBL1562796
Q27209288

Class	Description
tetralins	Compounds containing a tetralin skeleton.
[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	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, 2-oxoglutarate Oxygenase	Homo sapiens (human)	Potency	39.8107	0.1778	14.3909	39.8107	AID2147
Luciferase	Photinus pyralis (common eastern firefly)	Potency	10.6910	0.0072	15.7588	89.3584	AID588342
ATAD5 protein, partial	Homo sapiens (human)	Potency	21.8438	0.0041	10.8903	31.5287	AID504466; AID504467
USP1 protein, partial	Homo sapiens (human)	Potency	3.5481	0.0316	37.5844	354.8130	AID743255
TDP1 protein	Homo sapiens (human)	Potency	30.8678	0.0008	11.3822	44.6684	AID686978; AID686979
aldehyde dehydrogenase 1 family, member A1	Homo sapiens (human)	Potency	37.6505	0.0112	12.4002	100.0000	AID1030
P53	Homo sapiens (human)	Potency	15.8489	0.0731	9.6858	31.6228	AID504706
lysosomal alpha-glucosidase preproprotein	Homo sapiens (human)	Potency	11.2202	0.0366	19.6376	50.1187	AID1466; AID2242
NPC intracellular cholesterol transporter 1 precursor	Homo sapiens (human)	Potency	1.7783	0.0126	2.4518	25.0177	AID485313
chromobox protein homolog 1	Homo sapiens (human)	Potency	100.0000	0.0060	26.1688	89.1251	AID540317
nuclear factor erythroid 2-related factor 2 isoform 2	Homo sapiens (human)	Potency	10.3225	0.0041	9.9848	25.9290	AID504444
ras-related protein Rab-9A	Homo sapiens (human)	Potency	2.5119	0.0002	2.6215	31.4954	AID485297
DNA polymerase iota isoform a (long)	Homo sapiens (human)	Potency	89.1251	0.0501	27.0736	89.1251	AID588590
geminin	Homo sapiens (human)	Potency	18.3564	0.0046	11.3741	33.4983	AID624297
Neuronal acetylcholine receptor subunit alpha-4	Rattus norvegicus (Norway rat)	Potency	11.2202	3.5481	18.0395	35.4813	AID1466
Neuronal acetylcholine receptor subunit beta-2	Rattus norvegicus (Norway rat)	Potency	11.2202	3.5481	18.0395	35.4813	AID1466
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (15)

Assay ID	Title	Year	Journal	Article
AID1640019	Luciferase/luciferin-expressing antifolate-resistant parasites were used to infect a culture of HepG2 cells that were pre-incubated with compounds. Infected hepatocytes emit light due to the luciferase reaction. Assay results are presented as the percent	2018	Science (New York, N.Y.), 12-07, Volume: 362, Issue:6419	Open-source discovery of chemical leads for next-generation chemoprotective antimalarials.
AID1640018	Luciferase/luciferin-expressing antifolate-resistant parasites were used to infect a culture of HepG2 cells that were pre-incubated with compounds. Infected hepatocytes emit light due to the luciferase reaction. Assay results are presented as the percent	2018	Science (New York, N.Y.), 12-07, Volume: 362, Issue:6419	Open-source discovery of chemical leads for next-generation chemoprotective antimalarials.
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1745845	Primary qHTS for Inhibitors of ATXN expression
[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	0 (0.00)	18.2507
2000's	1 (16.67)	29.6817
2010's	4 (66.67)	24.3611
2020's	1 (16.67)	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	0 (0.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	6 (100.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
acridone acridone : A member of the class of acridines that is 9,10-dihydroacridine substituted by an oxo group at position 9.	2.17	1	acridines; cyclic ketone
ethacridine Ethacridine: A topically applied anti-infective agent.	2.17	1	acridines
amiodarone Amiodarone: An antianginal and class III antiarrhythmic drug. It increases the duration of ventricular and atrial muscle action by inhibiting POTASSIUM CHANNELS and VOLTAGE-GATED SODIUM CHANNELS. There is a resulting decrease in heart rate and in vascular resistance.. amiodarone : A member of the class of 1-benzofurans that is 1-benzofuran substituted by a butyl group at position 2 and a 4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl group at position 3. It is a cardiovascular drug used for the treatment of cardiac dysrhythmias.	2.17	1	1-benzofurans; aromatic ketone; organoiodine compound; tertiary amino compound	cardiovascular drug
ym 58483 [no description available]	2.17	1
camphor, (+-)-isomer [no description available]	2.17	1	bornane monoterpenoid; cyclic monoterpene ketone	plant metabolite
carbonyl cyanide m-chlorophenyl hydrazone Carbonyl Cyanide m-Chlorophenyl Hydrazone: A proton ionophore. It is commonly used as an uncoupling agent and inhibitor of photosynthesis because of its effects on mitochondrial and chloroplast membranes.. CCCP : A member of the class of monochlorobenzenes that is benzene substituted by 2-(1,3-dinitrilopropan-2-ylidene)hydrazinyl and chloro groups at positions 1 and 3, respectively. It is a mitochondrial depolarizing agent that induces reactive oxygen species mediated cell death.	2.17	1	hydrazone; monochlorobenzenes; nitrile	antibacterial agent; geroprotector; ionophore
carbonyl cyanide p-trifluoromethoxyphenylhydrazone Carbonyl Cyanide p-Trifluoromethoxyphenylhydrazone: A proton ionophore that is commonly used as an uncoupling agent in biochemical studies.. carbonyl cyanide p-trifluoromethoxyphenylhydrazone : A hydrazone that is hydrazonomalononitrile in which one of the hydrazine hydrogens is substituted by a p-trifluoromethoxyphenyl group.	2.17	1	aromatic ether; hydrazone; nitrile; organofluorine compound	ATP synthase inhibitor; geroprotector; ionophore
papaverine Papaverine: An alkaloid found in opium but not closely related to the other opium alkaloids in its structure or pharmacological actions. It is a direct-acting smooth muscle relaxant used in the treatment of impotence and as a vasodilator, especially for cerebral vasodilation. The mechanism of its pharmacological actions is not clear, but it apparently can inhibit phosphodiesterases and it may have direct actions on calcium channels.. papaverine : A benzylisoquinoline alkaloid that is isoquinoline substituted by methoxy groups at positions 6 and 7 and a 3,4-dimethoxybenzyl group at position 1. It has been isolated from Papaver somniferum.	2.17	1	benzylisoquinoline alkaloid; dimethoxybenzene; isoquinolines	antispasmodic drug; vasodilator agent
pimobendan pimobendan: produces arterial & venous dilatation in dogs; structure given in first source	2.17	1	benzimidazoles; pyridazinone	cardiotonic drug; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; vasodilator agent
terfenadine Terfenadine: A selective histamine H1-receptor antagonist devoid of central nervous system depressant activity. The drug was used for ALLERGY but withdrawn due to causing LONG QT SYNDROME.	2.17	1	diarylmethane
n-isopropyl-n-phenyl-4-phenylenediamine N-isopropyl-N'-phenyl-p-phenylenediamine : The N-substituted diamine that is 1,4-phenylenediamine substituted at one N with an isopropyl group and at the other with a phenyl group.	2.17	1	N-substituted diamine	allergen; antioxidant
3-amino-9-ethylcarbazole 3-amino-9-ethylcarbazole: RN given refers to parent cpd	2.17	1	carbazoles
cycloguanil cycloguanil: the active metabolite of proguanil; antifolate drug; structure in first source. cycloguanil : A triazine in which a 1,6-dihydro-1,3,5-triazine ring is substituted at N-1 by a 4-chlorophenyl group, at C-2 and -4 by amino groups and at C-6 by gem-dimethyl groups. A dihydrofolate reductase inhibitor, it is a metabolite of the antimalarial drug proguanil.	2.17	1	triazines	antifolate; antiinfective agent; antimalarial; antiparasitic agent; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
2,4,6-trichlorophenyl 4-nitrophenyl ether 2,4,6-trichlorophenyl 4-nitrophenyl ether: structure	2.17	1	aromatic ether; C-nitro compound; chlorobenzenes	EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor; herbicide
2-phenylthiazolidine-4-carboxylic acid 2-phenylthiazolidine-4-carboxylic acid: RN given refers to cpd without isomeric designation	2.17	1
benz(cd)indol-2(1h)-one benz(cd)indol-2(1H)-one: structure in first source	2.17	1
tetraphenylcyclopentadienone tetraphenylcyclopentadienone: singlet oxygen trapping agent	2.17	1	stilbenoid
3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine [no description available]	2.17	1	1,2,4-triazines
honokiol [no description available]	2.17	1	biphenyls
bathophenanthroline 4,7-diphenyl-1,10-phenanthroline : A member of the class of phenanthrolines that is 1,10-phenanthroline bearing two phenyl substituents at positions 4 and 7.	2.17	1	benzenes; phenanthrolines	chelator
2-phenyl-4,5-dichloro-3-pyridazinone [no description available]	2.17	1
n-benzylmaleimide [no description available]	2.17	1
phenylglycine nitrile phenylglycine nitrile: structure in first source	2.17	1
4,5-dimethyl-1,2-phenylenediamine 4,5-dimethyl-1,2-phenylenediamine: RN given refers to parent cpd	2.17	1
mmv665852 MMV665852: an antischistosomal agent	2.17	1
n-(2-methoxyphenyl)maleimide N-(2-methoxyphenyl)maleimide: structure given in first source	2.17	1
2-aminoperimidine 2-aminoperimidine: inhibits bacterial NhaA Na/H+ antiporters; structure in first source	2.17	1
1,3-bis(3-chlorophenyl)urea [no description available]	2.17	1	ureas
2-phenyl-4-oxohydroquinoline 2-phenyl-4-oxohydroquinoline: structure given in first source	2.17	1
2-chloro-3-(4-methylanilino)naphthalene-1,4-dione [no description available]	2.17	1	1,4-naphthoquinones
mequindox Mequindox: a synthetic quinoxaline 1,4-dioxide derivative which can effectively improve growth and feed efficiency in animals; structure in first source	2.17	1
1,3-bis(3,5-dichlorophenyl)urea 1,3-bis(3,5-dichlorophenyl)urea: COH - City of Hope; has antineoplastic activity	2.17	1
dienestrol Dienestrol: A synthetic, non-steroidal estrogen structurally related to stilbestrol. It is used, usually as the cream, in the treatment of menopausal and postmenopausal symptoms.. dienestrol : An olefinic compound that is hexa-2,4-diene substituted by 4-hydroxyphenyl groups at positions 3 and 4 respectively.	2.17	1
cinnamoylglycine cinnamoylglycine: structure given in first source. N-cinnamoylglycine : An N-acylglycine in which the acyl group is specified as (2E)-3-phenylprop-2-enoyl (cinnamoyl).	2.17	1	N-acylglycine	metabolite
4-(4-ethoxyphenyl)-4-oxobutanoic acid [no description available]	2.17	1	aromatic ketone
3-(4-chlorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one [no description available]	2.17	1	pyrazoles; ring assembly
N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-thiophenecarboxamide [no description available]	2.17	1	aromatic amide
4-chloro-N-[3-cyano-4-(phenylthio)phenyl]benzamide [no description available]	2.17	1	benzamides
3-(4-morpholinyl)-4-(2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-1-pyrazolecarboxamide [no description available]	2.17	1	pyrazolopyridine
7-chloro-2-methyl-4-(4-methylphenyl)sulfonylthiazolo[5,4-b]indole [no description available]	2.17	1	sulfonamide
4-[2-[(2,6-dimethoxyphenyl)-oxomethoxy]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester [no description available]	2.17	1	methoxybenzoic acid
2-(1H-benzimidazol-2-ylthio)-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone [no description available]	2.17	1	benzimidazoles
2,3-dihydro-1,4-dioxin-5-carboxylic acid [2-[4-[4-(2-methylbutan-2-yl)phenoxy]anilino]-2-oxoethyl] ester [no description available]	2.17	1	aromatic ether
2-(1,3-benzoxazol-2-ylthio)-1-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)ethanone [no description available]	2.17	1	benzoxazole
6-hydroxy-4-methyl-2-phenyl-2,3-dihydropyridazin-3-one [no description available]	2.17	1	pyridazinone
1-(4-chlorophenyl)-3-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]urea 1-(4-chlorophenyl)-3-[4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl]urea : An member of the class of phenylureas that is urea having 4-chlorophenyl and 4-methyl-2-(thiophen-2-yl)-1,3-thiazol-5-yl groups attached at positions 1 and 3 respectively.	2.17	1	1,3-thiazoles; monochlorobenzenes; phenylureas; thiophenes
N'-[(4-chlorophenyl)-oxomethyl]-2-methyl-4-thiazolecarbohydrazide [no description available]	2.17	1	carbonyl compound; organohalogen compound
bi-78d3 [no description available]	2.17	1	aryl sulfide
n-(3-chloro-4-methylphenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide N-(3-chloro-4-methylphenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide: activates the plant defense response; structure in first source. tiadinil : A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 4-methyl-1,2,3-thiadiazole-5-carboxylic acid with the amino group of 3-chloro-4-methylaniline. It is a fungicide used particularly for the control of fungal diseases in rice.	2.17	1	anilide fungicide; monocarboxylic acid amide; monochlorobenzenes; organosulfur compound; thiadiazoles	antifungal agrochemical
N'2-[3-(trifluoromethyl)benzoyl]-3-aminopyrazine-2-carbohydrazide [no description available]	2.17	1	(trifluoromethyl)benzenes
2-amino-4-(2-chlorophenyl)-6-[(4-chlorophenyl)thio]pyridine-3,5-dicarbonitrile [no description available]	2.17	1	phenylpyridine
2-[5-[(3-chlorophenyl)thio]-2-thiophenyl]pyridine [no description available]	2.17	1	aryl sulfide
8-methylsulfinyl-4,5-dihydrothieno[3,4-g][2,1]benzoxazole-6-carboxylic acid ethyl ester [no description available]	2.17	1	thiophenecarboxylic acid
1-(5-tert-butyl-2-methyl-3-pyrazolyl)-3-(3,5-dichlorophenyl)urea [no description available]	2.17	1	ureas
4-[[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]methyl]morpholine [no description available]	2.17	1	isoquinolines
7-chloro-3-hydroxy-2-[3-(trifluoromethyl)phenyl]-4-quinazolinone [no description available]	2.17	1	quinazolines
2-(1H-benzimidazol-2-ylthio)-1-[2,5-dimethyl-1-(2-oxolanylmethyl)-3-pyrrolyl]ethanone [no description available]	2.17	1	benzimidazoles
ethyl 4-(3-oxo-2,3-dihydroisothiazol-2-yl)benzoate [no description available]	2.17	1	organic molecular entity
7-chloro-N-(phenylmethyl)-4-quinolinamine [no description available]	2.17	1	aminoquinoline
6-methoxy-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-4-quinolinamine [no description available]	2.17	1	aminoquinoline
2-acetylpyridine thiosemicarbazone 2-acetylpyridine thiosemicarbazone: RN given refers to parent cpd	2.17	1
1-isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-urea 1-isoquinolin-5-yl-3-(4-trifluoromethyl-benzyl)-urea: structure in first source	2.17	1
4-(4-chlorophenyl)-3-methylbut-3-en-2-oxime 4-(4-chlorophenyl)-3-methylbut-3-en-2-oxime: a TRPA1 antagonist	2.17	1

Condition	Relationship Strength	Studies
Innate Inflammatory Response [description not available]	2.05	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.	2.05	1
Infections, Plasmodium [description not available]	2.17	1
Malaria A protozoan disease caused in humans by four species of the PLASMODIUM genus: PLASMODIUM FALCIPARUM; PLASMODIUM VIVAX; PLASMODIUM OVALE; and PLASMODIUM MALARIAE; and transmitted by the bite of an infected female mosquito of the genus ANOPHELES. Malaria is endemic in parts of Asia, Africa, Central and South America, Oceania, and certain Caribbean islands. It is characterized by extreme exhaustion associated with paroxysms of high FEVER; SWEATING; shaking CHILLS; and ANEMIA. Malaria in ANIMALS is caused by other species of plasmodia.	2.17	1

3-(4-chlorophenyl)-2-methyl-3,3a,4,5-tetrahydrobenzo[g]indazole

Cross-References

Synonyms (9)

Drug Classes (1)

Protein Targets (16)

Potency Measurements

Bioassays (15)

Research

Studies (6)

Market Indicators

Research Demand Index: 12.35

Study Types

3-(4-chlorophenyl)-2-methyl-3,3a,4,5-tetrahydrobenzo[g]indazole

Cross-References

Synonyms (9)

Drug Classes (1)

Protein Targets (16)

Potency Measurements

Bioassays (15)

Research

Studies (6)

Market Indicators

Research Demand Index: 12.35

Study Types

Related Drugs (63)

Related Conditions (4)