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Details

Stereochemistry ABSOLUTE
Molecular Formula C48H68FN11O12S
Molecular Weight 1042.183
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MEROTOCIN

SMILES

[H][C@]1(NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CC3=CC=C(F)C=C3)[C@@H](C)CC

InChI

InChIKey=PVVHQWISMVJHFK-NIFJBHDKSA-N
InChI=1S/C48H68FN11O12S/c1-5-27(4)42-47(71)56-32(16-17-37(50)62)44(68)57-35(21-38(51)63)45(69)58-36(25-73-18-6-7-40(65)54-34(46(70)59-42)20-28-10-14-31(61)15-11-28)48(72)60(23-29-8-12-30(49)13-9-29)24-41(66)55-33(19-26(2)3)43(67)53-22-39(52)64/h8-15,26-27,32-36,42,61H,5-7,16-25H2,1-4H3,(H2,50,62)(H2,51,63)(H2,52,64)(H,53,67)(H,54,65)(H,55,66)(H,56,71)(H,57,68)(H,58,69)(H,59,70)/t27-,32-,33-,34-,35-,36-,42-/m0/s1

HIDE SMILES / InChI

Molecular Formula C48H68FN11O12S
Molecular Weight 1042.183
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Merotocin (FE-202767 or carba-1-[4-FBzlGly(7)]dOT) is a selective peptidic oxytocin receptor agonist. It is currently in clinical development for the treatment of preterm mothers requiring lactation support.

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P30559
Gene ID: 5021.0
Gene Symbol: OXTR
Target Organism: Homo sapiens (Human)
0.1 nM [EC50]
PubMed

PubMed

TitleDatePubMed

Sample Use Guides

Unknown
Route of Administration: Nasal
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:32:34 GMT 2023
Edited
by admin
on Sat Dec 16 09:32:34 GMT 2023
Record UNII
UW3ON116CO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MEROTOCIN
INN   WHO-DD  
INN  
Official Name English
Merotocin [WHO-DD]
Common Name English
GLYCINAMIDE, N-(4-MERCAPTO-1-OXOBUTYL)-L-TYROSYL-L-ISOLEUCYL-L-GLUTAMINYL-L-ASPARAGINYL-L-CYSTEINYL-N-((4-FLUOROPHENYL)METHYL)GLYCYL-L-LEUCYL-, CYCLIC (1->5)-THIOETHER
Systematic Name English
merotocin [INN]
Common Name English
N-(4-SULFANYLBUTANOYL)-L-TYROSYL-L-ISOLEUCYL-L-GLUTAMINYL-L-ASPARAGINYL-L-CYSTEINYL-N-((4-FLUOROPHENYL)METHYL)GLYCYL-L-LEUCYLGLYCINAMIDE CYCLIC (1-5)-THIOETHER
Systematic Name English
Code System Code Type Description
INN
9947
Created by admin on Sat Dec 16 09:32:34 GMT 2023 , Edited by admin on Sat Dec 16 09:32:34 GMT 2023
PRIMARY
DRUG BANK
DB12932
Created by admin on Sat Dec 16 09:32:34 GMT 2023 , Edited by admin on Sat Dec 16 09:32:34 GMT 2023
PRIMARY
WIKIPEDIA
Merotocin
Created by admin on Sat Dec 16 09:32:34 GMT 2023 , Edited by admin on Sat Dec 16 09:32:34 GMT 2023
PRIMARY
FDA UNII
UW3ON116CO
Created by admin on Sat Dec 16 09:32:34 GMT 2023 , Edited by admin on Sat Dec 16 09:32:34 GMT 2023
PRIMARY
CAS
1190083-57-8
Created by admin on Sat Dec 16 09:32:34 GMT 2023 , Edited by admin on Sat Dec 16 09:32:34 GMT 2023
PRIMARY
PUBCHEM
76073634
Created by admin on Sat Dec 16 09:32:34 GMT 2023 , Edited by admin on Sat Dec 16 09:32:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID501032520
Created by admin on Sat Dec 16 09:32:34 GMT 2023 , Edited by admin on Sat Dec 16 09:32:34 GMT 2023
PRIMARY
NCI_THESAURUS
C170164
Created by admin on Sat Dec 16 09:32:34 GMT 2023 , Edited by admin on Sat Dec 16 09:32:34 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY