rodatristat ethyl   Click here for help

GtoPdb Ligand ID: 10646

Synonyms: compound 15b [PMID: 28041831] | KAR-5585 | KAR5585 | RVT-1201
Compound class: Synthetic organic
Comment: Rodatristat ethyl (KAR5585) is the inactive prodrug of rodatristat [1]. It is bioconverted in vivo by esterase activity.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 102.6
Molecular weight 589.21
XLogP 7.84
No. Lipinski's rules broken 1
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Canonical SMILES CCOC(=O)[C@H]1NCC2(C1)CCN(CC2)c1cc(nc(n1)N)O[C@@H](C(F)(F)F)c1ccc(cc1c1ccccc1)Cl
Isomeric SMILES CCOC(=O)[C@H]1NCC2(C1)CCN(CC2)c1cc(nc(n1)N)O[C@@H](C(F)(F)F)c1ccc(cc1c1ccccc1)Cl
InChI InChI=1S/C29H31ClF3N5O3/c1-2-40-26(39)22-16-28(17-35-22)10-12-38(13-11-28)23-15-24(37-27(34)36-23)41-25(29(31,32)33)20-9-8-19(30)14-21(20)18-6-4-3-5-7-18/h3-9,14-15,22,25,35H,2,10-13,16-17H2,1H3,(H2,34,36,37)/t22-,25+/m0/s1
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Summary of Clinical Use Click here for help
As rodatristat is administered as its prodrug rodatristat ethyl, clinical trials use the research codes of the prodrug (either KAR5585 or RVT-1201). We have curated clinical trial information against both rodatristat and rodatristat ethyl for user benefit. Clinical evauation of rodatristat in patients with pulmonary arterial hypertension (PAH) has advanced to Phase 2.
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT03924154 A Study of RVT-1201 in Patients With Pulmonary Arterial Hypertension (ELEVATE 1) Phase 2 Interventional Altavant Sciences GmbH