Compound Detail

CHEMBL4080397

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CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C)C(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4080397
Phase	Preclinical
Structure Type	MOL
InChI Key	RRBCHMCWWOHRQL-UMXFMPSGSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

4116.8

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C181H292N56O50S2
MW	4116.80

Activity Summary

EC50 1 meas. best 10.15

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Parathyroid hormone/parathyroid hormone-related peptide receptor CHEMBL1793	EC50	10.15	10.15	0.1	1

Pharmacokinetic Data

Parameter	Value	Units	Species
T1/2	0.03167	hr	Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Parathyroid hormone/parathyroid hormone-related peptide receptor	EC50	=	0.07	nM	10.15	Agonist activity at human PTH1 receptor expressed in human GP2.3 cells assessed ...	29064243

Literature References

PubMed	DOI	Target Context	# Activities
29064243	10.1021/acs.jmedchem.7b00876	Parathyroid hormone/parathyroid hormone-related peptide receptor	8
29064243	10.1021/acs.jmedchem.7b00876	Unchecked	4
29064243	10.1021/acs.jmedchem.7b00876	Mus musculus	1
29064243	10.1021/acs.jmedchem.7b00876	Rattus norvegicus	1

Data from ChEMBL 36 via Core Engine