DYNORPHIN A 1-13

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C75H126N24O15
Molecular Weight	1603.9547
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC2=CC=C(O)C=C2)([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(O)=O

InChI

InChIKey=OVVIBUHLQIYUEU-IWIISZHXSA-N

InChI=1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C75H126N24O15
Molecular Weight	1603.9547
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	4
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Potency
Delta opioid receptor 77 Target ID: CHEMBL236 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26785295	Agonist 2678	18.62 nM [EC50]
Kappa opioid receptor 108 Target ID: CHEMBL237 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26944625	Agonist 2678	1.514 nM [EC50]
Mu opioid receptor 221 Target ID: CHEMBL233 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26944625	Agonist 2678	213.8 nM [EC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:07:54 UTC 2023` Edited by `admin` on `Sat Dec 16 15:07:54 UTC 2023`
Record UNII	VFC23V742Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DYNORPHIN A 1-13

Common Name

English

DYNORPHIN A 1-13 HUMAN

Common Name

English

DYN A(1-13)-OH

Common Name

English

DYNORPHIN A PORCINE FRAGMENT 1-13

Common Name

English

1-13-DYNORPHIN A (PIG)

Common Name

English

DYNORPHIN 1-13 [MI]

Common Name

English

TYR-GLY-GLY-PHE-LEU-ARG-ARG-ILE-ARG-PRO-LYS-LEU-LYS

Common Name

English

Code System Code Type Description

MERCK INDEX

m4795