Bioactive Compound Details

BioIDbio158
NameCHOLYLSARCOSINE C-11
ChEMBL IDCHEMBL5095205
Molecular FormulaC27H45NO6
Molecular Weight478.66
Molecular Weight (Monoisotopic)479.3247
TypeSmall molecule
Max PhasePhase 1
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
Synonyms(N-METHYL-11C)CHOLYLSARCOSINE|11C-CHOLYLSARCOSINE|11C-CSAR|C-CSAR HUMANE 244|CHOLYLSARCOSINE C-11|SARCOCHOLIC ACID C-11
SmilesC[C@H](CCC(=O)N([11CH3])CC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
InchiInChI=1S/C27H45NO6/c1-15(5-8-23(32)28(4)14-24(33)34)18-6-7-19-25-20(13-22(31)27(18,19)3)26(2)10-9-17(29)11-16(26)12-21(25)30/h15-22,25,29-31H,5-14H2,1-4H3,(H,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,25+,26+,27-/m1/s1/i4-1
Inchi KeyDRRMEMPJCIGHMB-AWKXEPQSSA-N
Molecular SpeciesACID
TargetsNone
BioactivitiesNone
Np Likeness Score2.03
Records Key['CHOLYLSARCOSINE C-11']
Records Name['CHOLYLSARCOSINE C-11']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure