HISTRELIN ACETATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1991)
Entry Type: Protein
Molecule Category: UNKNOWN
UNII: QMG7HLD1ZE

Structure
InChI Key OWAUGAMNPZHEOJ-YKZVIGSYSA-N
Smile CC(=O)O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1
InChI
InChI=1S/C66H86N18O12.C2H4O2/c1-4-70-64(95)55-17-11-25-84(55)65(96)48(16-10-24-71-66(67)68)76-58(89)49(26-38(2)3)77-62(93)53(30-43-34-83(37-74-43)33-40-12-6-5-7-13-40)81-59(90)50(27-39-18-20-44(86)21-19-39)78-63(94)54(35-85)82-60(91)51(28-41-31-72-46-15-9-8-14-45(41)46)79-61(92)52(29-42-32-69-36-73-42)80-57(88)47-22-23-56(87)75-47;1-2(3)4/h5-9,12-15,18-21,31-32,34,36-38,47-55,72,85-86H,4,10-11,16-17,22-30,33,35H2,1-3H3,(H,69,73)(H,70,95)(H,75,87)(H,76,89)(H,77,93)(H,78,94)(H,79,92)(H,80,88)(H,81,90)(H,82,91)(H4,67,68,71);1H3,(H,3,4)/t47-,48-,49-,50-,51-,52-,53+,54-,55-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C68H90N18O14
Molecular Weight 1383.58
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Pharmacology

Action Mechanism of Action Reference
AGONIST Gonadotropin-releasing hormone receptor agonist DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Prostatic Neoplasms 4 D011471 ClinicalTrials

Related Entries

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
21.52
Injury, poisoning and procedural complications
17.96
Skin and subcutaneous tissue disorders
13.53
Product issues
7.14
Psychiatric disorders
5.08
Nervous system disorders
4.68
Reproductive system and breast disorders
4.62
Investigations
3.77
Infections and infestations
3.5
Immune system disorders
2.74
Musculoskeletal and connective tissue disorders
2.71
Endocrine disorders
2.43
Vascular disorders
2.31

Cross References

Resources Reference
CAS NUMBER 76712-82-8
ChEMBL CHEMBL1200509
EPA CompTox DTXSID30176580
FDA SRS QMG7HLD1ZE
PubChem 56927879
SureChEMBL SCHEMBL18715
CONTENTS