Bioactive Compound Details

BioIDbio200493
NameVASOPRESSIN
ChEMBL IDCHEMBL373742
Molecular FormulaC46H65N15O12S2
Molecular Weight1084.25
Molecular Weight (Monoisotopic)1083.4379
TypeProtein
Max PhasePhase 4
Target IDTar81
Target NameNone
SynonymsARGININE VASOPRESSIN|ARGIPRESSIN OR LYPRESSIN|Arginine Vasopressin|Beta-Hypophamine|INYECTABLE DE VASOPRESINA|Leiormone|Pitressin|SOLUTE INJECTABLE DE VASOPRESSINE|VASOPRESSIN|VASOPRESSIN INJECTION|VASOPRESSIN, UNSPECIFIED|VASOSTRICT|Vasophysin
SmilesN=C(N)NCCC[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/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
Inchi KeyKBZOIRJILGZLEJ-LGYYRGKSSA-N
Molecular SpeciesNone
Targets58.0
Bioactivities209.0
Np Likeness ScoreNone
Records Key['Vasopressin', '1 (Arginine-Vasopressin, AVP)', 'AVP', 'AVP', 'AVP', 'AVP', 'Arginine-vasopressin (AVP)', 'vasopressin', 'AVP', 'VASOPRESSIN', 'vasopressin, VS2', 'AVP', 'AVP', 'AVP', 'AVP', 'AVP', 'AVP', 'AVP', 'AVP', '2, AVP', 'Argipressin', 'AVP', '1, AVP, [Arg8]vasopressin', 'SID144206588', 'AVP', '[Phe3, Arg8]VP', 'AVP', 'SID29218064', 'Vasopressin', 'LV P', 'AVP', 'AVP', 'AVP', 'Vasopressin', 'AVP', 'Vasopressin', 'AVP', 'AVP', 'VASOPRESSIN', 'VASOPRESSIN', 'Argipressin', 'AVP', 'AVP', 'vasopressin', 'VP', 'Vasopressin', 'VP']
Records Name['(vasopressin)1-[19-Amino-13-benzyl-10-(2-carbamoyl-ethyl)-7-carbamoylmethyl-16-(4-hydroxy-benzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carbonyl]-pyrrolidine-2-carboxylic acid [1-(carbamoylmethyl-carbamoyl)-4-guanidino-butyl]-amide', '[2-({1-[19-Amino-13-benzyl-10-(2-carbamoyl-ethyl)-7-carbamoylmethyl-16-(4-hydroxy-benzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carbonyl]-pyrrolidine-2-carbonyl}-amino)-5-guanidino-pentanoylamino]-acetic acid (Arginine-Vasopressin, AVP)', '[2-({1-[19-Amino-13-benzyl-10-(2-carbamoyl-ethyl)-7-carbamoylmethyl-16-(4-hydroxy-benzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carbonyl]-pyrrolidine-2-carbonyl}-amino)-5-guanidino-pentanoylamino]-acetic acid', '[2-({1-[19-Amino-13-benzyl-10-(2-carbamoyl-ethyl)-7-carbamoylmethyl-16-(4-hydroxy-benzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carbonyl]-pyrrolidine-2-carbonyl}-amino)-5-guanidino-pentanoylamino]-acetic acid', '[2-({1-[19-Amino-13-benzyl-10-(2-carbamoyl-ethyl)-7-carbamoylmethyl-16-(4-hydroxy-benzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carbonyl]-pyrrolidine-2-carbonyl}-amino)-5-guanidino-pentanoylamino]-acetic acid', '[2-({1-[19-Amino-13-benzyl-10-(2-carbamoyl-ethyl)-7-carbamoylmethyl-16-(4-hydroxy-benzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carbonyl]-pyrrolidine-2-carbonyl}-amino)-5-guanidino-pentanoylamino]-acetic acid (AVP)', 'Arginine-vasopressin (AVP)', '1-[19-Amino-13-benzyl-10-(2-carbamoyl-ethyl)-7-carbamoylmethyl-16-(4-hydroxy-benzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carbonyl]-pyrrolidine-2-carboxylic acid [1-(carbamoylmethyl-carbamoyl)-4-guanidino-butyl]-amide', 'Arginin Vasopressin (AVP)', 'VASOPRESSIN', '8-arginine vasopressin', 'Arginine-vasopressin', 'Argeninevasopressin', 'Arginine vasopressin', 'cyclo[Cys-Tyr-Phe-Gln-Asn-Cys]-Pro-Arg-Gly-NH2', 'c-[Cys-Tyr-Phe-Gln-Asn-Cys]-Pro-Arg-Gly-NH2', 'Arginine vasopressin', 'arginine-vasopressin', 'arginine8vasopressin', 'Arginine vasopressin', 'Argipressin', 'arginine vasopressin', 'Arginine vasopressin', 'SID144206588', 'Arginine vasopressin', '[8-Arginine]Vasopressin', '8-arginine vasopressin', 'SID29218064', 'Vasopressin', '1-[19-Amino-13-benzyl-10-(2-carbamoyl-ethyl)-7-carbamoylmethyl-16-(4-hydroxy-benzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carbonyl]-pyrrolidine-2-carboxylic acid [1-(carbamoylmethyl-carbamoyl)-4-guan
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure