GproteinDb

montelukast

Agent/drug
Bioactivity

montelukast

SMILES	CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
InChIKey	UCHDWCPVSPXUMX-TZIWLTJVSA-N

Chemical Properties

Hydrogen bond acceptors	4
Hydrogen bond donors	2
Rotatable bonds	12
Molecular weight (Da)	585.2

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids DrugBank Drug Central PubChem GPCRdb

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_2A	ADA2A	Human	Adrenoceptors	A	pKi	5.83	5.83	5.83	ChEMBL
α_2A	ADA2A	Human	Adrenoceptors	A	pKi	8.23	8.23	8.23	Drug Central
α_2C	ADA2C	Human	Adrenoceptors	A	pKi	6.12	6.12	6.12	ChEMBL
α_2C	ADA2C	Human	Adrenoceptors	A	pKi	8.21	8.21	8.21	Drug Central
β₂	ADRB2	Human	Adrenoceptors	A	pKi	5.62	5.62	5.62	ChEMBL
β₂	ADRB2	Human	Adrenoceptors	A	pKi	8.25	8.25	8.25	Drug Central
β₃	ADRB3	Human	Adrenoceptors	A	pKi	5.50	5.50	5.50	ChEMBL
β₃	ADRB3	Human	Adrenoceptors	A	pKi	8.26	8.26	8.26	Drug Central
δ	OPRD	Human	Opioid	A	pKi	5.77	5.77	5.77	ChEMBL
δ	OPRD	Human	Opioid	A	pKi	8.24	8.24	8.24	Drug Central
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	5.40	5.40	5.40	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pKi	8.27	8.27	8.27	Drug Central
A₃	AA3R	Human	Adenosine	A	pKi	6.61	6.61	6.61	ChEMBL
A₃	AA3R	Human	Adenosine	A	pKi	8.18	8.18	8.18	Drug Central
CysLT₁	CLTR1	Human	Leukotriene	A	pKi	8.55	8.55	8.55	Guide to Pharmacology
CysLT₁	CLTR1	Guinea pig	Leukotriene	A	pKi	8.68	8.99	9.30	ChEMBL
CysLT₁	CLTR1	Human	Leukotriene	A	pKi	8.94	8.94	8.94	ChEMBL
CysLT₁	CLTR1	Human	Leukotriene	A	pKi	8.03	8.03	8.03	Drug Central
CysLT₁	CLTR1	Guinea pig	Leukotriene	A	pKi	8.03	8.03	8.03	Drug Central
CysLT₂	CLTR2	Human	Leukotriene	A	pKi	8.28	8.28	8.28	Drug Central

Showing 1 to 20 of 30 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

α_2A	ADA2A	Human	Adrenoceptors	A	pIC50	5.41	5.41	5.41	ChEMBL
α_2C	ADA2C	Human	Adrenoceptors	A	pIC50	5.28	5.28	5.28	ChEMBL
β₂	ADRB2	Human	Adrenoceptors	A	pIC50	5.46	5.46	5.46	ChEMBL
β₃	ADRB3	Human	Adrenoceptors	A	pIC50	5.37	5.37	5.37	ChEMBL
δ	OPRD	Human	Opioid	A	pIC50	5.32	5.32	5.32	ChEMBL
5-HT_2B	5HT2B	Human	5-Hydroxytryptamine	A	pIC50	5.20	5.20	5.20	ChEMBL
A₃	AA3R	Human	Adenosine	A	pIC50	6.36	6.36	6.36	ChEMBL
CysLT₁	CLTR1	Human	Leukotriene	A	pIC50	8.31	8.56	8.64	Guide to Pharmacology
CysLT₁	CLTR1	Guinea pig	Leukotriene	A	pIC50	9.30	9.30	9.30	ChEMBL
CysLT₁	CLTR1	Human	Leukotriene	A	pIC50	6.51	8.47	9.30	ChEMBL
CysLT₁	CLTR1	Human	Leukotriene	A	pEC50	7.14	7.14	7.14	ChEMBL
CysLT₂	CLTR2	Human	Leukotriene	A	pIC50	4.57	4.57	4.57	ChEMBL
D₃	DRD3	Human	Dopamine	A	pIC50	5.11	5.11	5.11	ChEMBL
FPR1	FPR1	Human	Formylpeptide	A	pIC50	5.15	5.15	5.15	ChEMBL
GPR17	GPR17	Mouse	A orphans	A	pIC50	7.21	7.21	7.21	Guide to Pharmacology
GPR17	GPR17	Mouse	A orphans	A	pIC50	8.14	8.14	8.14	Drug Central
GPR183	GP183	Human	A orphans	A	pIC50	5.25	5.25	5.25	ChEMBL
M₁	ACM1	Human	Acetylcholine (muscarinic)	A	pIC50	5.09	5.09	5.09	ChEMBL
M₃	ACM3	Human	Acetylcholine (muscarinic)	A	pIC50	5.18	5.18	5.18	ChEMBL
NK₂	NK2R	Human	Tachykinin	A	pIC50	5.42	5.42	5.42	ChEMBL

Showing 1 to 20 of 20 entries

montelukast

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	Yes

Clinical Trials

Phase I 3

Phase II 8

Phase III 10

Approved Yes

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids DrugBank Drug Central PubChem GPCRdb

Sankey plot

Drug Information

Search:

Target					Disease				Phase

Gene	Protein	Receptor family	Ligand type	Class	Indication name	ICD11	ATC	Association score	Phase	Approved

CLTR1	CysLT₁ receptor	Leukotriene receptors	Lipid receptors	Class A	Acute bronchiolitis, unspecified	CA41.Z	R03D	0.343	3	Yes
CLTR1	CysLT₁ receptor	Leukotriene receptors	Lipid receptors	Class A	Allergic or hypersensitivity conditions of unspecified type	4A8Z	R03D	0.045	2	Yes
CLTR1	CysLT₁ receptor	Leukotriene receptors	Lipid receptors	Class A	Allergic rhinitis due to other seasonal allergens	CA08.01	R03D	0.593	4	Yes
CLTR1	CysLT₁ receptor	Leukotriene receptors	Lipid receptors	Class A	Allergic rhinitis, unspecified	CA08.0Z	R03D	0.604	4	Yes
CLTR1	CysLT₁ receptor	Leukotriene receptors	Lipid receptors	Class A	Alzheimer disease	8A20	R03D	0.341	2	Yes
CLTR1	CysLT₁ receptor	Leukotriene receptors	Lipid receptors	Class A	Asthma	CA23	R03D	0.606	4	Yes
CLTR1	CysLT₁ receptor	Leukotriene receptors	Lipid receptors	Class A	Bronchopulmonary dysplasia originating in the perinatal period	KB29.0	R03D	0.037	1	Yes
CLTR1	CysLT₁ receptor	Leukotriene receptors	Lipid receptors	Class A	COVID-19	RA01	R03D	0.522	3	Yes
CLTR1	CysLT₁ receptor	Leukotriene receptors	Lipid receptors	Class A	Chronic kidney disease, stage unspecified	GB61.Z	R03D	0.259	3	Yes
CLTR1	CysLT₁ receptor	Leukotriene receptors	Lipid receptors	Class A	Chronic obstructive pulmonary disease, unspecified	CA22.Z	R03D	0.326	3	Yes
CLTR1	CysLT₁ receptor	Leukotriene receptors	Lipid receptors	Class A	Chronic rhinitis	CA09.0	R03D	0.387	1	Yes
CLTR1	CysLT₁ receptor	Leukotriene receptors	Lipid receptors	Class A	Cough	MD12	R03D	0.470	2	Yes
CLTR1	CysLT₁ receptor	Leukotriene receptors	Lipid receptors	Class A	Dengue fever, unspecified	1D2Z	R03D	0.074	2	Yes
CLTR1	CysLT₁ receptor	Leukotriene receptors	Lipid receptors	Class A	Eosinophilic oesophagitis	DA24.1	R03D	0.272	3	Yes
CLTR1	CysLT₁ receptor	Leukotriene receptors	Lipid receptors	Class A	Non-alcoholic steatohepatitis	DB92.1	R03D	0.045	1	Yes
CLTR1	CysLT₁ receptor	Leukotriene receptors	Lipid receptors	Class A	Obstructive sleep apnoea	7A41	R03D	0.461	3	Yes
CLTR1	CysLT₁ receptor	Leukotriene receptors	Lipid receptors	Class A	Other allergic rhinitis	CA08.03	R03D	0.561	4	Yes
CLTR1	CysLT₁ receptor	Leukotriene receptors	Lipid receptors	Class A	Other specified chronic bronchiolitis	CA26.Y	R03D	0.092	2	Yes
CLTR1	CysLT₁ receptor	Leukotriene receptors	Lipid receptors	Class A	Other specified diseases of the respiratory system	CB40.Y	R03D	0.529	4	Yes
CLTR1	CysLT₁ receptor	Leukotriene receptors	Lipid receptors	Class A	Pain, unspecified	MG3Z	R03D	0.259	3	Yes

Showing 1 to 20 of 26 entries

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montelukast

montelukast

Chemical Properties

Database connections

Bioactivities

montelukast

Drug properties

Clinical Trials

Database connections

Sankey plot

Drug Information