TONABERSAT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 2XD9773ZMN

Structure
InChI Key XLIIRNOPGJTBJD-ROUUACIJSA-N
Smile CC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccc(F)c(Cl)c1)[C@H](O)C(C)(C)O2
InChI
InChI=1S/C20H19ClFNO4/c1-10(24)11-5-7-16-13(8-11)17(18(25)20(2,3)27-16)23-19(26)12-4-6-15(22)14(21)9-12/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H19ClFNO4
Molecular Weight 391.83
AlogP 3.68
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 75.63
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 27.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 1.3-4.86

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Migraine with Aura 2 D020325 ClinicalTrials
Migraine without Aura 2 D020326 ClinicalTrials
Post-Acute COVID-19 Syndrome 2 D000094024 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 175013-84-0
ChEMBL CHEMBL318191
DrugBank DB06578
EPA CompTox DTXSID40169923
FDA SRS 2XD9773ZMN
PubChem 6918324
SureChEMBL SCHEMBL5917016
ZINC ZINC000003823813
CONTENTS