Bioactive Compound Details

BioIDbio196451
NameECAMSULE
ChEMBL IDCHEMBL3989850
Molecular FormulaC28H34O8S2
Molecular Weight562.71
Molecular Weight (Monoisotopic)562.1695
TypeSmall molecule
Max PhasePhase 4
Target IDTar81
Target NameNone
SynonymsECAMSUL|ECAMSULE|ECAMSULE SOLUTION|MEXORYL|MEXORYL SX|Mexoryl SX|NSC-760054
SmilesCC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2=Cc1ccc(C=C2C(=O)C3(CS(=O)(=O)O)CCC2C3(C)C)cc1
InchiInChI=1S/C28H34O8S2/c1-25(2)21-9-11-27(25,15-37(31,32)33)23(29)19(21)13-17-5-7-18(8-6-17)14-20-22-10-12-28(24(20)30,26(22,3)4)16-38(34,35)36/h5-8,13-14,21-22H,9-12,15-16H2,1-4H3,(H,31,32,33)(H,34,35,36)
Inchi KeyHEAHZSUCFKFERC-UHFFFAOYSA-N
Molecular SpeciesACID
TargetsNone
BioactivitiesNone
Np Likeness Score0.56
Records Key['ECAMSULE', 'ECAMSULE', 'ECAMSULE']
Records Name['ECAMSULE', 'ECAMSULE', 'ECAMSULE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure