ArrestinDb

macitentan

Agent/drug
Bioactivity

macitentan

SMILES	CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
InChIKey	JGCMEBMXRHSZKX-UHFFFAOYSA-N

Chemical Properties

Hydrogen bond acceptors	8
Hydrogen bond donors	2
Rotatable bonds	11
Molecular weight (Da)	586.0

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids DrugBank Drug Central PubChem GPCRdb
Structure pdb	8XVJ

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

D₃	DRD3	Human	Dopamine	A	pKi	6.00	6.00	6.00	ChEMBL

Showing 1 to 1 of 1 entry

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

ET_A	EDNRA	Human	Endothelin	A	pIC50	9.30	9.30	9.30	Guide to Pharmacology
ET_A	EDNRA	Human	Endothelin	A	pIC50	8.47	9.02	9.30	ChEMBL
ET_A	EDNRA	Human	Endothelin	A	pIC50	8.03	8.03	8.03	Drug Central
ET_B	EDNRB	Human	Endothelin	A	pIC50	6.41	6.41	6.41	Guide to Pharmacology
ET_B	EDNRB	Human	Endothelin	A	pIC50	6.01	6.28	6.41	ChEMBL
ET_B	EDNRB	Human	Endothelin	A	pIC50	8.19	8.19	8.19	Drug Central

Showing 1 to 6 of 6 entries

macitentan

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	Yes

Clinical Trials

Phase I 2

Phase II 4

Phase III 5

Approved Yes

Database connections

PubChem Guide To Pharmacology ChEMBL_compound_ids DrugBank Drug Central PubChem GPCRdb
Structure pdb	8XVJ

Sankey plot

Drug Information

Search:

Target					Disease				Phase

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

EDNRA	ET_A receptor	Endothelin receptors	Peptide receptors	Class A	Essential hypertension, unspecified	BA00.Z	C02K	0.365	4	Yes
EDNRA	ET_A receptor	Endothelin receptors	Peptide receptors	Class A	Gastric ulcer	DA60	C02K	0.479	3	Yes
EDNRA	ET_A receptor	Endothelin receptors	Peptide receptors	Class A	Glioblastoma of brain	2A00.00	C02K	0.041	1	Yes
EDNRA	ET_A receptor	Endothelin receptors	Peptide receptors	Class A	Heart failure, unspecified	BD1Z	C02K	0.335	2	Yes
EDNRA	ET_A receptor	Endothelin receptors	Peptide receptors	Class A	Idiopathic pulmonary fibrosis	CB03.4	C02K	0.346	2	Yes
EDNRA	ET_A receptor	Endothelin receptors	Peptide receptors	Class A	Pulmonary arterial hypertension	BB01.0	C02K	0.264	4	Yes
EDNRA	ET_A receptor	Endothelin receptors	Peptide receptors	Class A	Pulmonary hypertension, unspecified	BB01.Z	C02K	0.582	4	Yes
EDNRA	ET_A receptor	Endothelin receptors	Peptide receptors	Class A	Structural developmental anomaly of heart or great vessels, unspecified	LA8Z	C02K	0.476	3	Yes
EDNRB	ET_B receptor	Endothelin receptors	Peptide receptors	Class A	Essential hypertension, unspecified	BA00.Z	C02K	0.323	4	Yes
EDNRB	ET_B receptor	Endothelin receptors	Peptide receptors	Class A	Gastric ulcer	DA60	C02K	0.479	3	Yes
EDNRB	ET_B receptor	Endothelin receptors	Peptide receptors	Class A	Glioblastoma of brain	2A00.00	C02K	0.084	1	Yes
EDNRB	ET_B receptor	Endothelin receptors	Peptide receptors	Class A	Heart failure, unspecified	BD1Z	C02K	0.332	2	Yes
EDNRB	ET_B receptor	Endothelin receptors	Peptide receptors	Class A	Idiopathic pulmonary fibrosis	CB03.4	C02K	0.358	2	Yes
EDNRB	ET_B receptor	Endothelin receptors	Peptide receptors	Class A	Pulmonary arterial hypertension	BB01.0	C02K	0.350	4	Yes
EDNRB	ET_B receptor	Endothelin receptors	Peptide receptors	Class A	Pulmonary hypertension, unspecified	BB01.Z	C02K	0.581	4	Yes
EDNRB	ET_B receptor	Endothelin receptors	Peptide receptors	Class A	Structural developmental anomaly of heart or great vessels, unspecified	LA8Z	C02K	0.469	3	Yes

Showing 1 to 16 of 16 entries