LEUPROLIDE ACETATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1985)
Entry Type: Protein
Molecule Category: Salt
UNII: 37JNS02E7V
Parent Compound: LEUPROLIDE

Structure
InChI Key RGLRXNKKBLIBQS-XNHQSDQCSA-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](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1
InChI
InChI=1S/C59H84N16O12.C2H4O2/c1-6-63-57(86)48-14-10-22-75(48)58(87)41(13-9-21-64-59(60)61)68-51(80)42(23-32(2)3)69-52(81)43(24-33(4)5)70-53(82)44(25-34-15-17-37(77)18-16-34)71-56(85)47(30-76)74-54(83)45(26-35-28-65-39-12-8-7-11-38(35)39)72-55(84)46(27-36-29-62-31-66-36)73-50(79)40-19-20-49(78)67-40;1-2(3)4/h7-8,11-12,15-18,28-29,31-33,40-48,65,76-77H,6,9-10,13-14,19-27,30H2,1-5H3,(H,62,66)(H,63,86)(H,67,78)(H,68,80)(H,69,81)(H,70,82)(H,71,85)(H,72,84)(H,73,79)(H,74,83)(H4,60,61,64);1H3,(H,3,4)/t40-,41-,42-,43+,44-,45-,46-,47-,48-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C61H88N16O14
Molecular Weight 1269.47
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 FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Primary active transporter ATP-binding cassette ABCC subfamily
- 80200 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Prostatic Neoplasms 4 D011471 ClinicalTrials
Puberty, Precocious 4 D011629 ClinicalTrials
Prostatic Neoplasms 4 D011471 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 4 D064129 ClinicalTrials
Puberty, Precocious 4 D011629 ClinicalTrials
Infertility, Male 3 D007248 ClinicalTrials
Leiomyoma 3 D007889 ClinicalTrials
Obesity 3 D009765 ClinicalTrials
Breast Neoplasms 3 D001943 ClinicalTrials
Endometriosis 3 D004715 ClinicalTrials
Neoplasms 3 D009369 ClinicalTrials
Breast Neoplasms 3 D001943 ClinicalTrials
Alzheimer Disease 2 D000544 ClinicalTrials
Multiple Myeloma 2 D009101 ClinicalTrials
Lymphoma, Mantle-Cell 2 D020522 ClinicalTrials
Depression, Postpartum 2 D019052 ClinicalTrials
Bulimia Nervosa 2 D052018 ClinicalTrials
Cognitive Dysfunction 2 D060825 ClinicalTrials
Hodgkin Disease 2 D006689 ClinicalTrials
Hypertension 0 D006973 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
18.62
Reproductive system and breast disorders
10.56
Vascular disorders
7.4
Nervous system disorders
7.33
Injury, poisoning and procedural complications
7.05
Musculoskeletal and connective tissue disorders
6.57
Gastrointestinal disorders
5.56
Psychiatric disorders
5.48
Investigations
4.33
Skin and subcutaneous tissue disorders
4.02
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
3.84
Respiratory, thoracic and mediastinal disorders
2.91
Renal and urinary disorders
2.82
Cardiac disorders
2.8
Infections and infestations
2.18

Cross References

Resources Reference
ChEBI 63597
ChEMBL CHEMBL1200775
EPA CompTox DTXSID7049009
FDA SRS 37JNS02E7V
PubChem 657180
SureChEMBL SCHEMBL3174
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