MACITENTAN

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Trade Names:
Synonyms:
Status: Approved (2010)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: C02KX04
UNII: Z9K9Y9WMVL

Structure
InChI Key JGCMEBMXRHSZKX-UHFFFAOYSA-N
Smile CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
InChI
InChI=1S/C19H20Br2N6O4S/c1-2-7-26-32(28,29)27-17-16(13-3-5-14(20)6-4-13)18(25-12-24-17)30-8-9-31-19-22-10-15(21)11-23-19/h3-6,10-12,26H,2,7-9H2,1H3,(H,24,25,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H20Br2N6O4S
Molecular Weight 588.28
AlogP 3.57
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 128.22
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Endothelin receptor, ET-A/ET-B antagonist FDA
Primary Target
ETA receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Endothelin receptor
- 1-3 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Ulcer 3 D014456 ClinicalTrials
Scleroderma, Systemic 3 D012595 ClinicalTrials
Hernias, Diaphragmatic, Congenital 3 D065630 ClinicalTrials
Hypertension, Pulmonary 3 D006976 ClinicalTrials
Hypertension, Pulmonary 3 D006976 ClinicalTrials
Idiopathic Pulmonary Fibrosis 2 D054990 ClinicalTrials
Heart Failure 2 D006333 ClinicalTrials
Glioblastoma 1 D005909 ClinicalTrials

Side Effects from Label

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Respiratory, thoracic and mediastinal disorders
14.58
General disorders and administration site conditions
14.19
Cardiac disorders
10.92
Gastrointestinal disorders
7.42
Vascular disorders
6.91
Nervous system disorders
6.67
Investigations
5.57
Infections and infestations
5.19
Musculoskeletal and connective tissue disorders
4.35
Metabolism and nutrition disorders
4.33
Injury, poisoning and procedural complications
3.63
Surgical and medical procedures
3.09
Skin and subcutaneous tissue disorders
2.97
Renal and urinary disorders
2.26
Psychiatric disorders
2.18

Cross References

Resources Reference
CAS NUMBER 441798-33-0
ChEBI 76607
ChEMBL CHEMBL2103873
DrugBank DB08932
DrugCentral 4809
EPA CompTox DTXSID50196063
FDA SRS Z9K9Y9WMVL
Guide to Pharmacology 7352
KEGG D10135
PubChem 16004692
SureChEMBL SCHEMBL1445625
ZINC ZINC000043202140
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