Bioactive Compound Details

BioIDbio101696
NameLYPRESSIN
ChEMBL IDCHEMBL1200690
Molecular FormulaC46H65N13O12S2
Molecular Weight1056.24
Molecular Weight (Monoisotopic)1055.4317
TypeProtein
Max PhasePhase 4
Target IDTar96
Target NameNone
Synonyms8-L-LYSINEVASOPRESSIN|DIAPID|L-8|LIPRESINA|LYPRESSIN|LYPRESSINE|LYSINE VASOPRESSIN|VASOPRESSIN PIG|VASOPRESSIN, 8-L-LYSINE
SmilesNCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
InchiInChI=1S/C46H65N13O12S2/c47-17-5-4-9-29(40(65)52-22-38(51)63)54-45(70)35-10-6-18-59(35)46(71)34-24-73-72-23-28(48)39(64)55-31(20-26-11-13-27(60)14-12-26)43(68)56-32(19-25-7-2-1-3-8-25)42(67)53-30(15-16-36(49)61)41(66)57-33(21-37(50)62)44(69)58-34/h1-3,7-8,11-14,28-35,60H,4-6,9-10,15-24,47-48H2,(H2,49,61)(H2,50,62)(H2,51,63)(H,52,65)(H,53,67)(H,54,70)(H,55,64)(H,56,68)(H,57,66)(H,58,69)/t28-,29-,30-,31-,32-,33-,34-,35-/m0/s1
Inchi KeyBJFIDCADFRDPIO-DZCXQCEKSA-N
Molecular SpeciesNone
Targets34.0
Bioactivities50.0
Np Likeness ScoreNone
Records Key['LVP', 'SID144206455', 'SID144206977', 'LYPRESSIN', '[Phe3, Lys8]VP, LVP', 'LYPRESSIN', 'LYPRESSIN', 'LYPRESSIN', 'lypressin', 'LYPRESSIN', 'LYPRESSIN', 'LYPRESSIN', 'lypressin', 'lypressin', 'lypressin', 'LYPRESSIN']
Records Name['lysine-vasopressin', 'SID144206455', 'SID144206977', 'LYPRESSIN', '[Lycine-8]-Vasopressin', 'LYPRESSIN', 'LYPRESSIN', 'LYPRESSIN', 'lypressin', 'LYPRESSIN', 'LYPRESSIN', 'LYPRESSIN', 'lypressin', 'lypressin', 'lypressin', 'LYPRESSIN']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure