MetaADEDB 2.0 @ LMMD
iturelix
(QRYFGTULTGLGHU-NBERXCRTSA-N)
Structure
SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)N)C)CCCCNC(C)C)CC(C)C)CCCCNC(=O)c1cccnc1)CCCCNC(=O)c1cccnc1)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc2c(c1)cccc2)NC(=O)C)Cc1ccc(cc1)Cl)Cc1cccnc1
Molecular Formula:
C82H108ClN17O14
Molecular Weight:
1591.290
Log P:
8.3217
Hydrogen Bond Acceptor:
31
Hydrogen Bond Donor:
14
TPSA:
454.43
CAS Number(s):
112568-12-4
Synonym(s)
1.
iturelix
2.
A8802 compound
3.
Antide
4.
N-Ac-Nal(1)-4-Cl-Phe(2)-Pal(3)-Nic-Lys(5)-Nic-Lys(6)-Leu(7)-I-Lys(8)-Pro(9)-Ala(10)-NH2
5.
N-Ac-Nal(1)-4-Cl-Phe(2)-Pal(3)-Ser(4)-Nic-Lys(5)-Nic-Lys(6)-Leu(7)-I-Lys(8)-Pro(9)-Ala(10)-NH2
6.
Nal-Lys-GnRH
7.
Nal-Lys-GnRHant
8.
ORF 23541
9.
ORF-23541
External Link(s)
MeSHC057022
PubChem Compound73952264
16130938
101827019
CHEMBLCHEMBL3989438
IUPHAR/BPS Guide to PHARMACOLOGY3854
Therapeutic Target DatabaseD07RYX
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Catalepsy19403167CTD
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