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Compound Detail

CHEMBL410972

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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL410972
Phase Preclinical
Structure Type BOTH
InChI Key DTHNMHAUYICORS-KTKZVXAJSA-N
1
Targets
29
Activities
2
Assay Types
5
PK Parameters
20
Publications
0
Known Names

Molecular Properties

3297.7
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C149H226N40O45
MW 3297.68

Activity Summary

EC50 24 meas. best 10.49
IC50 5 meas. best 9.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucagon-like peptide 1 receptor
CHEMBL1784
 EC50 10.49 8.5529 0.0 17
Glucagon-like peptide 1 receptor
CHEMBL1784
 IC50 9.85 8.668 0.1 5

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.03333 hr Homo sapiens
T1/2 0.01667 hr Homo sapiens
T1/2 0.3 hr Homo sapiens
T1/2 0.03333 hr Homo sapiens
T1/2 0.03333 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucagon-like peptide 1 receptor EC50 = 0.032 nM 10.49 Agonist activity at human GLP-1 receptor expressed in HEK293 cells assessed as c... 38117235
Glucagon-like peptide 1 receptor EC50 = 0.044 nM 10.36 Agonist activity at human GLP1 receptor expressed in HEK293 cells harboring mCer... 28771355
Glucagon-like peptide 1 receptor EC50 = 0.05012 nM 10.3 Agonist activity at human GLP1 receptor expressed in HEK293 cells assessed as in... 29939744
Glucagon-like peptide 1 receptor EC50 = 0.057 nM 10.24 Agonist activity at GLP-1R (unknown origin) expressed in HEK293 cells assessed a... 36571995
Glucagon-like peptide 1 receptor EC50 = 0.084 nM 10.08 Agonist activity at human GLP-1R expressed in HEK293 cells assessed as cAMP rele... 35231829
Glucagon-like peptide 1 receptor IC50 = 0.14 nM 9.85 Inhibitory concentration against human GLP1 receptor expressed in CHO cell membr... 15357960
Glucagon-like peptide 1 receptor EC50 = 0.35 nM 9.46 Agonist activity at human GLP-1R expressed in African green monkey COS7 cells as... 24044354
Glucagon-like peptide 1 receptor EC50 = 0.4 nM 9.4 Effective concentration against human GLP1 receptor expressed in CHO cells with ... 15357960
Glucagon-like peptide 1 receptor EC50 = 1.0 nM 9.0 Agonist activity at human GLP1R expressed in CHO cells assessed as stimulation o... 18950150
Glucagon-like peptide 1 receptor IC50 = 1.5 nM 8.82 Displacement of [125I]-exendin (9 to 39) from human GLP-1R expressed in African ... 24044354
Glucagon-like peptide 1 receptor IC50 = 1.9 nM 8.72 Displacement of [125I]exendin(9-39) from human GLP1R expressed in CHO cells 18950150
Glucagon-like peptide 1 receptor EC50 = 3.981 nM 8.4 Agonist activity at Rluc8 fused human GLP1 receptor expressed in HEK293 cells as... 29939744
Glucagon-like peptide 1 receptor EC50 = 7.943 nM 8.1 Agonist activity at Rluc8 fused human GLP1 receptor expressed in HEK293 cells as... 29939744
Glucagon-like peptide 1 receptor IC50 = 7.943 nM 8.1 Binding affinity to human GLP-1R expressed in CHO cells coexpressing beta-arrest... 35984914
Glucagon-like peptide 1 receptor IC50 = 14.0 nM 7.85 Inhibitory concentration required against human GLP1 receptor expressed in CHO c... 15357960
Glucagon-like peptide 1 receptor EC50 = 15.4 nM 7.81 Effective concentration against human GLP1 receptor expressed in CHO cells 15357960
Glucagon-like peptide 1 receptor EC50 = 25.12 nM 7.6 Agonist activity at human GLP-1R expressed in CHO cells coexpressing beta-arrest... 35984914
Glucagon-like peptide 1 receptor EC50 = 67.0 nM 7.17 Agonist activity at N-terminal HA-tagged human GLP-1R expressed in HEK293 cells ... 37286364
Glucagon-like peptide 1 receptor EC50 = 97.0 nM 7.01 Partial agonist activity at N-terminal HA-tagged human GLP-1R expressed in HEK29... 37286364
Glucagon-like peptide 1 receptor EC50 = 100.0 nM 7.0 Agonist activity at human GLP-1R assessed as increase in ERK1/2 phosphorylation ... 35984914

Literature References

PubMed DOI Target Context # Activities
35984914 10.1021/acs.jmedchem.2c00653 Glucagon-like peptide 1 receptor 18
35984914 10.1021/acs.jmedchem.2c00653 Unchecked 9
18656368 10.1016/j.bmc.2008.07.019 Mus musculus 8
37286364 10.1021/acs.jmedchem.3c00320 Glucagon-like peptide 1 receptor 8
29939744 10.1021/acs.jmedchem.8b00435 Glucagon-like peptide 1 receptor 6
15357960 10.1016/j.bmcl.2004.06.066 Glucagon-like peptide 1 receptor 6
39254428 10.1021/acs.jmedchem.4c01553 Amyloid-beta precursor protein 4
24044354 10.1021/jm400423p Mus musculus 4
24044354 10.1021/jm400423p Dipeptidyl peptidase 4 3
24044354 10.1021/jm400423p Glucagon-like peptide 1 receptor 2
28448133 10.1021/acs.jmedchem.7b00174 Glucagon-like peptide 1 receptor 2
28448133 10.1021/acs.jmedchem.7b00174 Glucagon receptor 2
35984914 10.1021/acs.jmedchem.2c00653 Mus musculus 2
18950150 10.1021/jm8008579 Glucagon-like peptide 1 receptor 2
24044354 10.1021/jm400423p Trypsin 1
24308627 10.1021/jm4017448 Glucagon-like peptide 1 receptor 1
26606380 10.1021/acs.jnatprod.5b00843 Unchecked 1
27560386 10.1021/acs.jnatprod.6b00494 Unchecked 1
28771355 10.1021/acs.jmedchem.7b00787 Glucagon-like peptide 1 receptor 1
28988749 10.1016/j.bmc.2017.09.029 Dipeptidyl peptidase 4 1

Data from ChEMBL 36 via Core Engine