RODATRISTAT ETHYL

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 507FY6OL37

Structure
InChI Key TZSZZENYCISATO-WIOPSUGQSA-N
Smile CCOC(=O)[C@@H]1CC2(CCN(c3cc(O[C@H](c4ccc(Cl)cc4-c4ccccc4)C(F)(F)F)nc(N)n3)CC2)CN1
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H31ClF3N5O3
Molecular Weight 590.05
AlogP 5.57
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 102.6
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 41.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Tryptophan 5-hydroxylase 1 inhibitor Other

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hypertension, Pulmonary 2 D006976 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4069704
FDA SRS 507FY6OL37
Guide to Pharmacology 10646
PubChem 92045025
SureChEMBL SCHEMBL16573975
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