Bioactive Compound Details

BioIDbio403
NameCYCLOTRYPROSTATIN A
ChEMBL IDCHEMBL1089971
Molecular FormulaC22H29N3O3
Molecular Weight383.49
Molecular Weight (Monoisotopic)383.2209
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms12,13-Dihydroxyfumitremorgin C
SmilesCOc1ccc2c3c([nH]c2c1)[C@H](C=C(C)C)N1C[C@@H]2CCCN2C[C@@]1(O)[C@H]3O
InchiInChI=1S/C22H29N3O3/c1-13(2)9-18-20-19(16-7-6-15(28-3)10-17(16)23-20)21(26)22(27)12-24-8-4-5-14(24)11-25(18)22/h6-7,9-10,14,18,21,23,26-27H,4-5,8,11-12H2,1-3H3/t14-,18-,21-,22+/m0/s1
Inchi KeyYZJBCQWDGRNRAY-RIVOMEERSA-N
Molecular SpeciesNEUTRAL
Targets13.0
Bioactivities15.0
Np Likeness Score0.62
Records Key['2', '21']
Records Name['Cyclotryprostatin A', 'cyclotryprostatin A']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure