Bioactive Compound Details

BioIDbio1250
NameDELTORPHIN C
ChEMBL IDCHEMBL317956
Molecular FormulaC37H52N8O10
Molecular Weight768.87
Molecular Weight (Monoisotopic)768.3806
TypeProtein
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsDeltorphin C
SmilesCC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C
InchiInChI=1S/C37H52N8O10/c1-19(2)30(36(54)40-18-28(39)47)45-37(55)31(20(3)4)44-35(53)27(17-29(48)49)43-34(52)26(16-22-9-7-6-8-10-22)42-32(50)21(5)41-33(51)25(38)15-23-11-13-24(46)14-12-23/h6-14,19-21,25-27,30-31,46H,15-18,38H2,1-5H3,(H2,39,47)(H,40,54)(H,41,51)(H,42,50)(H,43,52)(H,44,53)(H,45,55)(H,48,49)/t21-,25+,26+,27+,30+,31+/m1/s1
Inchi KeyCJAORFIPPWIGPG-QXYJMILXSA-N
Molecular SpeciesACID
Targets18.0
Bioactivities120.0
Np Likeness Score0.02
Records Key['Deltorphin I', '2 (DT II)', 'deltorphin I', '1', 'DT1', '2', '1 (DT I)', 'Deltorphin II', '1', 'deltorphin C', '[D-Ala2]deltorphin II', '14', '1', 'deltorphin-II', '1', 'Deltorphin II (DT)', 'deltorphin-II', '[D-Ala2,Glu4]Deltorphin', '13 (deltorphin C)', 'Deltorphin', 'deltorphin-II', '14, deltorphine II', 'Deltorphin-2', '4', 'deltrophin C', 'Deltorphin C', 'DEL', 'SID50112600']
Records Name['Tyr-D-Ala-Phe-Asp-Val-Val-Gly-NH2', 'Tyr-D-Ala-Phe-Glu-Val-Val-Gly-NH2', '(S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-N-{(S)-1-[(S)-1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-succinamic acid', '3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-N-{1-[1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-succinamic acid', '(S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-N-{(S)-1-[(S)-1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-succinamic acid', '(S)-4-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-4-{(S)-1-[(S)-1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propylcarbamoyl}-butyric acid', 'Tyr-D-Ala-Phe-Asp-Val-Val-Gly-NH2', 'Tyr-DAla-Phe-Glu-Val-Val-Gly-NH2', '(S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-N-{(S)-1-[(S)-1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-succinamic acid', '(S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-N-{(S)-1-[(S)-1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-succinamic acid', '3-[1-[1-[1-amino-2-(4-hydroxyphenyl)-(1S)-ethylcarboxamido]-(1S)-ethylcarboxamido]-2-phenyl-(1S)-ethylcarboxamido]-3-[1-[1-carbamoylmethylcarbamoyl-2-methyl-(1S)-propylcarbamoyl]-2-methyl-(1S)-propylcarbamoyl]propanoic acid', '3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-N-{1-[1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-succinamic acid', 'H-Tyr-D-Ala-Phe-Asp-Val-Val-Gly-NH2', 'H-Tyr-D-Ala-Phe-Asp-Val-Val-Gly-NH2', '(S)-3-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-N-{(S)-1-[(S)-1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-succinamic acid', '(S)-4-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-4-{(S)-1-[(S)-1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propylcarbamoyl}-butyric acid', 'Tyr-D-Ala-Phe-Glu-Val-Val-Gly-NH2', '(S)-3-((S)-2-{(S)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-N-{(S)-1-[(S)-1-(carbamoylmethyl-carbamo
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure