REPINOTAN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 05PB82Z52L

Structure
InChI Key YGYBFMRFXNDIPO-QGZVFWFLSA-N
Smile O=C1c2ccccc2S(=O)(=O)N1CCCCNC[C@H]1CCc2ccccc2O1
InChI
InChI=1S/C21H24N2O4S/c24-21-18-8-2-4-10-20(18)28(25,26)23(21)14-6-5-13-22-15-17-12-11-16-7-1-3-9-19(16)27-17/h1-4,7-10,17,22H,5-6,11-15H2/t17-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H24N2O4S
Molecular Weight 400.5
AlogP 2.59
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 75.71
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Serotonin 1a (5-HT1a) receptor agonist PubMed

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1614652
DrugBank DB06506
EPA CompTox DTXSID80162857
FDA SRS 05PB82Z52L
Guide to Pharmacology 95
PubChem 198757
SureChEMBL SCHEMBL678644
ZINC ZINC000001552489
CONTENTS