OMAVELOXOLONE

Search structure
Synonyms:
Status: Approved (2023)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: G69Z98951Q

Structure
InChI Key RJCWBNBKOKFWNY-IDPLTSGASA-N
Smile CC1(C)CC[C@]2(NC(=O)C(C)(F)F)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1
InChI
InChI=1S/C33H44F2N2O3/c1-27(2)11-13-33(37-26(40)32(8,34)35)14-12-31(7)24(20(33)17-27)21(38)15-23-29(5)16-19(18-36)25(39)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3,(H,37,40)/t20-,22-,24-,29-,30+,31+,33-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C33H44F2N2O3
Molecular Weight 554.72
AlogP 6.73
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 87.03
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 40.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Friedreich Ataxia 2 D005621 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Melanoma 1 D008545 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1474034-05-3
ChEMBL CHEMBL4303525
FDA SRS G69Z98951Q
Guide to Pharmacology 7573
PubChem 71811910
SureChEMBL SCHEMBL15349371
ZINC ZINC000144682962
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