Bioactive Compound Details

BioIDbio198166
NameVERRUCULOGEN TR-2
ChEMBL IDCHEMBL1090129
Molecular FormulaC21H29N3O4
Molecular Weight387.48
Molecular Weight (Monoisotopic)387.2158
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsVerruculogen TR-2
SmilesCOc1ccc2c3c([nH]c2c1)[C@H](C(C)(C)O)N1C[C@@H]2CCCN2C[C@@]1(O)[C@H]3O
InchiInChI=1S/C21H29N3O4/c1-20(2,26)18-17-16(14-7-6-13(28-3)9-15(14)22-17)19(25)21(27)11-23-8-4-5-12(23)10-24(18)21/h6-7,9,12,18-19,22,25-27H,4-5,8,10-11H2,1-3H3/t12-,18+,19-,21+/m0/s1
Inchi KeyRIXDFYAJYWMUMR-SFMXACBGSA-N
Molecular SpeciesNEUTRAL
Targets14.0
Bioactivities15.0
Np Likeness Score0.46
Records Key['18', '4']
Records Name['verruculogen TR-2', 'Verruculogen TR-2']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure