Compound Detail

CHEMBL4524066

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CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(O)NCCCC[C@H](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)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](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](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4524066
Phase	Preclinical
Structure Type	MOL
InChI Key	VXEVKSKAINMPFG-QWUNSSNDSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

3753.3

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C172H267N43O51
MW	3753.28

Activity Summary

EC50 7 meas. best 10.21

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glucagon-like peptide 1 receptor CHEMBL1784	EC50	10.21	9.5033	0.1	3

Pharmacokinetic Data

Parameter	Value	Units	Species
AUC	788.0	mmol/L	Mus musculus
AUC	80300.0	ng.hr.mL-1	Mus musculus
AUC	3580.0	ng.hr.mL-1	Macaca fascicularis
AUC	36539231.72	ng.hr.mL-1	Mus musculus
Cmax	2051.54	nM	Mus musculus
T1/2	14.0	hr	Sus scrofa
T1/2	13.0	hr	Homo sapiens
T1/2	4.4	hr	Mus musculus
T1/2	3.6	hr	Mus musculus
T1/2	13.0	hr	Homo sapiens
T1/2	15.4	hr	Rattus norvegicus
T1/2	31.5	hr	Rattus norvegicus
Tmax	9.0	hr	Homo sapiens
Tmax	6.0	hr	Mus musculus
Tmax	4.0	hr	Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glucagon-like peptide 1 receptor	EC50	=	0.061	nM	10.21	Potency measured using recombinant human GLP-1 receptor expressed in Baby Hamste...	10794683
Glucagon-like peptide 1 receptor	EC50	=	0.067	nM	10.17	Agonist activity at human GLP1 receptor expressed in HEK293 cells harboring mCer...	28771355
Glucagon-like peptide 1 receptor	EC50	=	7.4	nM	8.13	Agonist activity at human GLP1 receptor expressed in HEK293 cells assessed as in...	30108901

Literature References

PubMed	DOI	Target Context	# Activities
30108901	10.1039/C7MD00471K	Mus musculus	22
29879354	10.1021/acs.jmedchem.8b00292	ADMET	6
28448133	10.1021/acs.jmedchem.7b00174	Mus musculus	6
28771355	10.1021/acs.jmedchem.7b00787	No relevant target	4
28771355	10.1021/acs.jmedchem.7b00787	Mus musculus	4
29673717	10.1016/j.bmc.2018.04.022	Mus musculus	4
29673717	10.1016/j.bmc.2018.04.022	Rattus norvegicus	3
29879354	10.1021/acs.jmedchem.8b00292	Cynomolgus monkey	3
29879354	10.1021/acs.jmedchem.8b00292	Glucagon-like peptide 1 receptor	2
29673717	10.1016/j.bmc.2018.04.022	INS1	2
29879354	10.1021/acs.jmedchem.8b00292	Unchecked	2
28448133	10.1021/acs.jmedchem.7b00174	Homo sapiens	2
28448133	10.1021/acs.jmedchem.7b00174	Glucagon receptor	2
28448133	10.1021/acs.jmedchem.7b00174	Glucagon-like peptide 1 receptor	2
28771355	10.1021/acs.jmedchem.7b00787	Homo sapiens	2
-	10.21203/rs.3.rs-23951/v1	SARS-CoV-2	1
29879354	10.1021/acs.jmedchem.8b00292	Gastric inhibitory polypeptide receptor	1
29879354	10.1021/acs.jmedchem.8b00292	Glucagon receptor	1
28689096	10.1016/j.ejmech.2017.07.001	Mus musculus	1
28771355	10.1021/acs.jmedchem.7b00787	Glucagon-like peptide 1 receptor	1

Data from ChEMBL 36 via Core Engine