Bioactive Compound Details

BioIDbio926
NameHERDMANINE C
ChEMBL IDCHEMBL1915723
Molecular FormulaC20H22N4O6
Molecular Weight414.42
Molecular Weight (Monoisotopic)414.1539
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsHerdmanine C
SmilesN=C(N)NCCC[C@@H](NC(=O)c1ccc(OC(=O)c2ccc(O)cc2)cc1)C(=O)O
InchiInChI=1S/C20H22N4O6/c21-20(22)23-11-1-2-16(18(27)28)24-17(26)12-5-9-15(10-6-12)30-19(29)13-3-7-14(25)8-4-13/h3-10,16,25H,1-2,11H2,(H,24,26)(H,27,28)(H4,21,22,23)/t16-/m1/s1
Inchi KeyAJMYUJYRCPUHHA-MRXNPFEDSA-N
Molecular SpeciesZWITTERION
Targets7.0
Bioactivities10.0
Np Likeness Score0.07
Records Key['3']
Records Name['Herdmanine C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure