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Details

Stereochemistry ACHIRAL
Molecular Formula C16H14Br2N6O4S
Molecular Weight 546.193
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of APROCITENTAN

SMILES

NS(=O)(=O)NC1=NC=NC(OCCOC2=NC=C(Br)C=N2)=C1C3=CC=C(Br)C=C3

InChI

InChIKey=DKULOVKANLVDEA-UHFFFAOYSA-N
InChI=1S/C16H14Br2N6O4S/c17-11-3-1-10(2-4-11)13-14(24-29(19,25)26)22-9-23-15(13)27-5-6-28-16-20-7-12(18)8-21-16/h1-4,7-9H,5-6H2,(H2,19,25,26)(H,22,23,24)

HIDE SMILES / InChI

Description

ACT-132577 is the major and pharmacologically active metabolite of macitentan (ACT-064992), which is dual ETA/ETB endothelin (ET) receptor antagonist designed for tissue targeting.

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
3.4 nM [IC50]
987.0 nM [IC50]

Conditions

ConditionModalityTargetsHighest PhaseProduct

PubMed

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown