Compound Detail

CHEMBL4289676

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CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4289676
Phase	Preclinical
Structure Type	MOL
InChI Key	RZAWLWZKYNTTQL-RZDGSAQYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1807.0

MW (Da)

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C82H123N19O27
MW	1806.99

Activity Summary

Kd 2 meas. best 6.68

Ki 1 meas. best 6.31

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Protein Mdm4 CHEMBL1255126	Kd	6.68	6.68	210.0	1
Protein Mdm4 CHEMBL1255126	Ki	6.31	6.31	490.0	1
E3 ubiquitin-protein ligase Mdm2 CHEMBL5023	Kd	6.22	6.22	600.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Protein Mdm4	Kd	=	210.0	nM	6.68	Binding affinity to human MDM4 assessed as inhibition constant	34286973
Protein Mdm4	Ki	=	490.0	nM	6.31	Inhibition of 5'-FAM-LTFEHYWAQLTS binding to N-terminal domain of recombinant hu...	29034069
E3 ubiquitin-protein ligase Mdm2	Kd	=	600.0	nM	6.22	Binding affinity to human MDM2 assessed as inhibition constant	34286973

Literature References

PubMed	DOI	Target Context	# Activities
29034069	10.1039/C7MD00058H	Protein Mdm4	1
34286973	10.1021/acs.jmedchem.1c00940	Protein Mdm4	1
34286973	10.1021/acs.jmedchem.1c00940	E3 ubiquitin-protein ligase Mdm2	1

Data from ChEMBL 36 via Core Engine