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Compound Detail

CHEMBL500468

GHRELIN
🧪 Phase III
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🧪 Phase III
CCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)O

Basic Information

ChEMBL ID CHEMBL500468
Name GHRELIN
Phase Phase III
Structure Type BOTH
InChI Key JSRSZGUKOAXAJV-MXAPAKLGSA-N

Known Names

Ghrelin Human ghrelin Lenomorelin
1
Targets
14
Activities
3
Assay Types
4
PK Parameters
16
Publications
3
Known Names
8
Indications

Molecular Properties

3314.8
MW (Da)

Drug Information

Molecule Type Protein
Chirality Single Enantiomer
USAN Stem -relin

Extended Properties

Molecular Formula C147H245N45O42
MW 3314.85

Indications

Neoplasms Aging Brain Concussion Peripheral Arterial Disease Stroke Depressive Disorder, Major Diabetes Mellitus, Type 2 Obesity

Activity Summary

IC50 7 meas. best 9.85
EC50 6 meas. best 8.85
Ki 1 meas. best 9.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Growth hormone secretagogue receptor type 1
CHEMBL4616
IC50 9.85 9.025 0.1 6
Growth hormone secretagogue receptor type 1
CHEMBL4616
Ki 9.15 9.15 0.7 1
Growth hormone secretagogue receptor type 1
CHEMBL4616
EC50 8.85 8.625 1.4 6

Pharmacokinetic Data

Parameter Value Units Species
AUC - - Rattus norvegicus
CL - - Rattus norvegicus
Cmax - - Rattus norvegicus
F - % Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Growth hormone secretagogue receptor type 1 IC50 = 0.14 nM 9.85 Inhibition of [125I]ghrelin binding to human recombinant ghrelin receptor membra... 15780607
Growth hormone secretagogue receptor type 1 IC50 = 0.25 nM 9.6 Binding affinity towards human Growth hormone secretagogue receptor type 1 using... 11459669
Growth hormone secretagogue receptor type 1 IC50 = 0.39 nM 9.41 Binding affinity towards cloned human Growth hormone secretagogue receptor type ... 12646029
Growth hormone secretagogue receptor type 1 Ki = 0.7 nM 9.15 Displacement of [125I]-His-ghrelin from human ghrelin receptor expressed in COS7... 22920150
Growth hormone secretagogue receptor type 1 EC50 = 1.4 nM 8.85 In vitro effective concentration against human growth hormone secretagogues 15780609
Growth hormone secretagogue receptor type 1 EC50 = 1.41 nM 8.85 Inhibition of human growth hormone secretagogue receptor assessed as measuring i... 18295486
Growth hormone secretagogue receptor type 1 EC50 = 1.4 nM 8.85 Agonist activity at human GHS receptor expressed in H4 cells by FLIPR assay 18378446
Growth hormone secretagogue receptor type 1 EC50 = 1.42 nM 8.85 Agonist activity at GHS receptor 18554903
Growth hormone secretagogue receptor type 1 EC50 = 1.4 nM 8.85 Agonist activity at human ghrelin receptor expressed in COS 7 cells using [2-3H]... 22920150
Growth hormone secretagogue receptor type 1 IC50 = 2.3 nM 8.64 Displacement of [125I]ghrelin from human eYFP-fused ghrelin receptor expressed i... 25905598
Growth hormone secretagogue receptor type 1 IC50 = 2.291 nM 8.64 Displacement of [125I]ghrelin from human eYFP-fused ghrelin receptor expressed i... 25905598
Growth hormone secretagogue receptor type 1 IC50 = 9.8 nM 8.01 Binding affinity towards human pituitary Growth hormone secretagogue receptor us... 12646029
Growth hormone secretagogue receptor type 1 EC50 = 32.0 nM 7.5 Functional potency measured as intracellular calcium elevation in Hek-293 cells ... 11459669

Literature References

PubMed DOI Target Context # Activities
17371869 10.1074/jbc.m609796200 Growth hormone secretagogue receptor type 1 18
22106937 10.1021/jm2007062 Rattus norvegicus 8
20133137 10.1016/j.bmc.2010.01.004 Growth hormone secretagogue receptor type 1 4
23816043 10.1016/j.bmc.2013.06.006 DU-145 4
22920150 10.1021/jm300414b Growth hormone secretagogue receptor type 1 3
11459669 10.1016/s0960-894x(01)00324-9 Growth hormone secretagogue receptor type 1 2
12646029 10.1021/jm020985q Growth hormone secretagogue receptor type 1 2
18378446 10.1016/j.bmcl.2008.03.059 Growth hormone secretagogue receptor type 1 2
25905598 10.1021/jm501702q Growth hormone secretagogue receptor type 1 2
12646029 10.1021/jm020985q Rattus norvegicus 1
15780607 10.1016/j.bmcl.2005.02.042 Growth hormone secretagogue receptor type 1 1
15780609 10.1016/j.bmcl.2005.02.040 Growth hormone secretagogue receptor type 1 1
18295486 10.1016/j.bmcl.2008.02.021 Growth hormone secretagogue receptor type 1 1
19323558 10.1021/jm8014519 Growth hormone secretagogue receptor type 1 1
18554903 10.1016/j.bmcl.2008.05.100 Growth hormone secretagogue receptor type 1 1
23816043 10.1016/j.bmc.2013.06.006 Growth hormone secretagogue receptor type 1 1

Data from ChEMBL 36 via Core Engine