Bioactive Compound Details

BioIDbio1855
NameSINCALIDE
ChEMBL IDCHEMBL1121
Molecular FormulaC49H62N10O16S3
Molecular Weight1143.29
Molecular Weight (Monoisotopic)1142.3507
TypeProtein
Max PhasePhase 4
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsCCK C-TERMINAL OCTAPEPTIDE|CCK-8|CHOLECYSTOKININ C-TERMINAL OCTAPEPTIDE|Cholecystokinin|KINEVAC|Pancreozymin (Cholecystokinin)|SINCALIDA|SINCALIDE|SQ 19844|SQ-19844
SmilesCSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InchiInChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
Inchi KeyIZTQOLKUZKXIRV-YRVFCXMDSA-N
Molecular SpeciesNone
Targets21.0
Bioactivities199.0
Np Likeness ScoreNone
Records Key['CCK-8', 'CCK8', 'CCK-8', 'CCK-8', 'CCK-8S', 'CCK-8', 'CCK-8S', 'CCK-8', 'CCK-8', 'CCK-8', 'cck-8', 'CCK-8', '6d', 'CCK-8', 'CCK (23-33)', 'Asp-Tyr(OSO3H)-Met-Gly-Trp-Met-Asp-Phe-NH2', 'CCK-8', 'CCK8', '1', 'CCK-8', '2', 'CCK 8', 'CCK-26-33 (S)', 'CCK-8', 'CCK8', 'CCK-8S', 'CCK 8', 'CCK8', 'sincalide', 'CCK-8', 'CCK-8', 'Cholecystokinin Octapeptide', 'sincalide', 'CCK-8', 'CCK-8', 'CCK-8', 'CCK-8s', 'CCK-8s', 'Cholecystokinin Octapeptide', 'SID144207030', 'Sincalide', 'CCK-8', 'CCK-8', 'Cholecystokinin 8', 'Cholecystokinin Octapeptide', 'CCK-8S', 'SID144206508', 'cholecystokinin', 'CCK8', 'CCK8', 'SINCALIDE', 'SINCALIDE', 'CCK-8S', '1', '1; CCK-8, CCK-33(26-33)', 'SINCALIDE', 'CCK-(26-33)', 'SINCALIDE', 'cholecystokinin 8', 'CCK-8, SO3', 'CCK-8S 200 nanomolar', 'CCK-8s']
Records Name['Asp-Tyr(SO3H)-Met-Gly-Trp-Met-Asp-Phe-NH2', '3-{2-[2-(2-{2-[2-(2-Amino-3-carboxy-propionylamino)-3-(4-sulfooxy-phenyl)-propionylamino]-4-methylsulfanyl-butyrylamino}-acetylamino)-3-(1H-indol-3-yl)-propionylamino]-4-methylsulfanyl-butyrylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid', '3-{2-[2-(2-{2-[2-(2-Amino-3-carboxy-propionylamino)-3-(4-sulfooxy-phenyl)-propionylamino]-4-methylsulfanyl-butyrylamino}-acetylamino)-3-(1H-indol-3-yl)-propionylamino]-4-methylsulfanyl-butyrylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid', 'CCK-8', 'cholecystokinin', '3-{2-[2-(2-{2-[2-(2-Amino-3-carboxy-propionylamino)-3-(4-sulfooxy-phenyl)-propionylamino]-4-methylsulfanyl-butyrylamino}-acetylamino)-3-(1H-indol-3-yl)-propionylamino]-4-methylsulfanyl-butyrylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid', '3-{2-[2-(2-{2-[2-(2-Amino-3-carboxy-propionylamino)-3-(4-sulfooxy-phenyl)-propionylamino]-4-methylsulfanyl-butyrylamino}-acetylamino)-3-(1H-indol-3-yl)-propionylamino]-4-methylsulfanyl-butyrylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid', '3-{2-[2-(2-{2-[2-(2-Amino-3-carboxy-propionylamino)-3-(4-sulfooxy-phenyl)-propionylamino]-4-methylsulfanyl-butyrylamino}-acetylamino)-3-(1H-indol-3-yl)-propionylamino]-4-methylsulfanyl-butyrylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid', '2-[2-(2-{2-[2-{2-[2-(2-Amino-3-phenyl-propionylamino)-3-carboxy-propionylamino]-4-methylsulfanyl-butyrylamino}-3-(1H-indol-3-yl)-propionylamino]-acetylamino}-4-methylsulfanyl-butyrylamino)-3-(4-sulfo-phenyl)-propionylamino]-succinic acid', '3-Amino-N-[1-[1-({[1-{1-[1-(1-amino-2-phenyl-ethylcarbamoyl)-2-carboxy-ethylcarbamoyl]-3-methylsulfanyl-propylcarbamoyl}-2-(1H-indol-3-yl)-ethylcarbamoyl]-methyl}-carbamoyl)-3-methylsulfanyl-propylcarbamoyl]-2-(4-sulfo-phenyl)-ethyl]-succinamic acid', 'Asp-Tyr-(SO3H)-Met-Gly-Trp-Met-Asp-Phe-NH2', '3-{2-[2-(2-{2-[2-(2-Amino-3-carboxy-propionylamino)-3-(4-sulfooxy-phenyl)-propionylamino]-4-methylsulfanyl-butyrylamino}-acetylamino)-3-(1H-indol-3-yl)-propionylamino]-4-methylsulfanyl-butyrylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid (CCK-8)', 'H-Asp-Tyr(SO3H)-Met-Gly-Trp-Met-Asp-Phe-NH2 (CCK-8)', 'AspTyr(SO3H)-Met-Gly-Trp-Met-Asp-Phe-NH2', 'Asp-Tyr(SO3H)-Met-Gly-Trp-Met-Asp-Phe-NH2', 'Asp-Tyr(OSO3H)-Met-Gly-Trp-Met-Asp-Phe-NH2', 'H-Asp-Tyr(SO3Na)-Met-Gly-Trp-Met-Asp-Phe-NH2 (CCK-8)', 'Asp-Tyr(SO3H)-Met-Gly-Trp-Met-Asp-Phe-NH2', 'H-Asp-Tyr(SO3H)-Met-Gly-Trp-Met-Asp-Phe-NH2 (CCK-8)', '3-{2-[2-(2-{2-[2-(2-Amino-3-carboxy-propionylamino)-3-(4-sulfooxy-phenyl)-propionylamino]-4-meth
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure