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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201199
CHEMBL1201199
Compound Name LEUPROLIDE
ChEMBL Synonyms Leuprolide | Leuprorelin | ELIGARD | Carcinil | LUPRON DEPOT-PED | ABBOTT-43818 | LUPRON | LEUPRORELIN | TAP-144 | LUPRON DEPOT | LEUPROLIDE ACETATE | VIADUR | Lupron Depot PED
Max Phase 4 (Approved)
Trade Names Lupron Depot PED | LEUPROLIDE ACETATE | LUPRON DEPOT | VIADUR | LUPRON | LUPRON DEPOT-PED | Carcinil | ELIGARD | Leuprorelin
Molecular Formula C59H84N16O12

Additional synonyms for CHEMBL1201199 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C ...
Download SMILES
Standard InChI InChI=1S/C59H84N16O12/c1-6-63-57(86)48-14-10-22-75(48)58(87) ...
Download InChI
Standard InChI Key GFIJNRVAKGFPGQ-LIJARHBVSA-N

Sources

  • K4DD Project
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1201199

Molecule Features

CHEMBL1201199 compound icon
Drug Type:Oligopeptide Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Y Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Gonadotropin-releasing hormone receptor agonist Gonadotropin-releasing hormone receptor FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Breast NeoplasmsD001943EFO:0000305breast carcinoma3ClinicalTrials
ClinicalTrials
DwarfismD004392HP:0001510growth delay3ClinicalTrials
Multiple MyelomaD009101EFO:0001378multiple myeloma2ClinicalTrials
InfertilityD007246EFO:0000545infertility3ClinicalTrials
Puberty, PrecociousD0116293ClinicalTrials
Breast NeoplasmsD001943EFO:0003869breast neoplasm3ClinicalTrials
HypertensionD006973EFO:0000537hypertension0ClinicalTrials
HypogonadismD0070062ClinicalTrials
Alzheimer DiseaseD000544EFO:0000249Alzheimers disease2ClinicalTrials
NeoplasmsD009369EFO:0000311cancer3ClinicalTrials
Prostatic NeoplasmsD011471EFO:0001663prostate carcinoma3ClinicalTrials
ClinicalTrials
Prostatic NeoplasmsD011471EFO:0000196metastatic prostate cancer3ClinicalTrials
EndometriosisD004715EFO:0001065endometriosis2ClinicalTrials
ClinicalTrials
LeiomyomaD007889EFO:0000731uterine fibroid3ClinicalTrials
ObesityD009765EFO:0001073obesity3ClinicalTrials
ClinicalTrials
Prostatic NeoplasmsD011471EFO:0000673prostate adenocarcinoma3ClinicalTrials
ClinicalTrials
Hodgkin DiseaseD006689EFO:0000183Hodgkins lymphoma2ClinicalTrials
Lymphoma, Mantle-CellD020522EFO:1001469Mantle cell lymphoma2ClinicalTrials
MelanomaD008545EFO:0000756melanoma2ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm4ATC

Clinical Data

ClinicalTrials.gov LEUPROLIDE
The Cochrane Collaboration LEUPROLIDE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
1209.4 1208.6455 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL1201199

Compound Cross References

ATC L - ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L02 - ENDOCRINE THERAPY
L02A - HORMONES AND RELATED AGENTS
L02AE - Gonadotropin releasing hormone analogues
L02AE02 - leuprorelin

ChemSpider ChemSpider:GFIJNRVAKGFPGQ-LIJARHBVSA-N
DailyMed leuprolide acetate
Wikipedia Leuprorelin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201199



BindingDB 50369395
ChEBI 6427
ChemicalBook CB8398455
DrugCentral 1559
eMolecules 30152588 539933
EPA CompTox Dashboard DTXSID50872411
FDA SRS EFY6W0M8TG
Guide to Pharmacology 1175
Human Metabolome Database HMDB0041916
IBM Patent System 6D14CB04DF674F3F2E23C8B370260B8B
MolPort MolPort-006-069-430
Nikkaji J34.477J
PubChem 657181
PubChem: Thomson Pharma 14939438 14890460 14939439 14841815
SureChEMBL SCHEMBL4585

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/GFIJNRVAKGFPGQ-LIJARHBVSA-N spacer
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