Compound Detail

CHEMBL415606

DEGARELIX

💊 Approved Drug

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💊 Approved Drug

CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)C(=O)N[C@H](Cc1ccc(NC(N)=O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL415606
Name	DEGARELIX
Phase	Approved
Structure Type	MOL
InChI Key	MEUCPCLKGZSHTA-XYAYPHGZSA-N
Therapeutic	✓ Yes

Known Names

Degarelix FE200486 (FREE BASE)

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Molecular Properties

1632.3

MW (Da)

Drug Information

Molecule Type	Protein
First Approval	2008
Availability	Prescription
Chirality	Single Enantiomer

Routes of Administration

Parenteral

Flags

Natural Product

USAN Stem	-relix
USAN Year	2007

Extended Properties

Molecular Formula	C82H103ClN18O16
MW	1632.29

Indications

Endometriosis Neoplasms Prostatic Neoplasms Prostatic Neoplasms Prostatic Neoplasms Prostatic Neoplasms Prostatic Neoplasms, Castration-Resistant Adenocarcinoma Breast Neoplasms Breast Neoplasms Breast Neoplasms, Male Infertility Prostatic Hyperplasia Severe Acute Respiratory Syndrome

ATC Classification

L02BX02

degarelix

Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS

Level 2: ENDOCRINE THERAPY

Activity Summary

IC50 6 meas. best 9.24

Kd 1 meas. best 9.2

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Gonadotropin-releasing hormone receptor CHEMBL1855	IC50	9.24	8.8325	0.6	4
Gonadotropin-releasing hormone receptor CHEMBL1855	Kd	9.2	9.2	0.6	1
SARS-CoV-2 CHEMBL4303835	IC50	4.68	4.68	20650.0	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Gonadotropin-releasing hormone receptor	IC50	=	0.5754	nM	9.24	Antagonist activity at human GnRH receptor expressed in HEK293 cells as inhibiti...	16759096
Gonadotropin-releasing hormone receptor	IC50	=	0.58	nM	9.24	Antagonist activity at human GnRH receptor expressed in HEK293 cells as inhibiti...	16759096
Gonadotropin-releasing hormone receptor	Kd	=	0.631	nM	9.2	Competitive antagonism of GnRH-induced response in the reporter gene assay	11462984
Gonadotropin-releasing hormone receptor	IC50	=	1.64	nM	8.79	Antagonism of GnRH response in HEK293 cells expressing human GnRH receptor	16033265
Gonadotropin-releasing hormone receptor	IC50	=	8.8	nM	8.06	Antagonism of human GnHR receptor, determined in a reporter gene assay in HEK293...	11462984
SARS-CoV-2	IC50	=	20650.0	nM	4.68	Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity o...	-
SARS-CoV-2	IC50	=	20650.0	nM	4.68	Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity o...	-

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL5209801	C5a anaphylatoxin chemotactic receptor 1	5
-	10.6019/CHEMBL5209801	Free fatty acid receptor 4	5
-	10.6019/CHEMBL5209801	Glucagon-like peptide 1 receptor	5
-	10.6019/CHEMBL5209801	N-formyl peptide receptor 2	5
-	10.6019/CHEMBL5209801	Beta-2 adrenergic receptor	5
-	10.6019/CHEMBL5209801	Sphingosine 1-phosphate receptor 1	5
-	10.6019/CHEMBL5209801	CX3C chemokine receptor 1	5
-	10.6019/CHEMBL5209801	Type-1 angiotensin II receptor	5
-	10.6019/CHEMBL5209801	Alpha-2A adrenergic receptor	5
-	10.6019/CHEMBL5209801	Glucose-dependent insulinotropic receptor	5
-	10.6019/CHEMBL5209801	Apelin receptor	5
-	10.6019/CHEMBL5209801	Adhesion G-protein coupled receptor F1	5
-	10.6019/CHEMBL4495565	SARS-CoV-2	4
-	10.6019/CHEMBL4495565	Vero C1008	2
-	10.6019/CHEMBL4495565	ADMET	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
-	10.6019/CHEMBL5058564	HEK-293T	2
-	10.6019/CHEMBL5058564	U2OS	2
26948801	10.1016/j.drudis.2016.02.015	Homo sapiens	2
16759096	10.1021/jm060240a	Gonadotropin-releasing hormone receptor	2

Data from ChEMBL 36 via Core Engine