Bioactive Compound Details

BioIDbio527
NamePSAMMAPLYSIN C
ChEMBL IDCHEMBL517220
Molecular FormulaC22H25Br4N3O7
Molecular Weight763.07
Molecular Weight (Monoisotopic)758.8426
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPsammaplysin C
SmilesCNCC(O)c1cc(Br)c(OCCCNC(=O)C2=NO[C@@]3(CC(Br)=C(OC)C(Br)=CO3)[C@H]2O)c(Br)c1
InchiInChI=1S/C22H25Br4N3O7/c1-27-9-16(30)11-6-12(23)19(13(24)7-11)34-5-3-4-28-21(32)17-20(31)22(36-29-17)8-14(25)18(33-2)15(26)10-35-22/h6-7,10,16,20,27,30-31H,3-5,8-9H2,1-2H3,(H,28,32)/t16?,20-,22-/m0/s1
Inchi KeyKHWOJHLZIWAPIG-OIGSQQCRSA-N
Molecular SpeciesBASE
Targets1.0
Bioactivities1.0
Np Likeness Score1.64
Records Key['3']
Records Name['psammaplysin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure