Compound Detail

CHEMBL1089944

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CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N2CCC[C@H]2C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1089944
Phase	Preclinical
Structure Type	MOL
InChI Key	ZSZFDFFMKORUQF-GWPUDWGZSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1921.2

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C85H117N25O23S2
MW	1921.16

Activity Summary

Kd 2 meas. best 5.28

IC50 1 meas. best 4.4

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
IgG receptor FcRn large subunit p51 CHEMBL5966	Kd	5.28	4.855	5300.0	2
IgG receptor FcRn large subunit p51 CHEMBL5966	IC50	4.4	4.4	40000.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
IgG receptor FcRn large subunit p51	Kd	=	5300.0	nM	5.28	Binding affinity to soluble human FcRn at pH 6 by surface plasmon resonance assa...	20092334
IgG receptor FcRn large subunit p51	Kd	=	37000.0	nM	4.43	Binding affinity to soluble human FcRn at pH 7.4 by surface plasmon resonance as...	20092334
IgG receptor FcRn large subunit p51	IC50	=	40000.0	nM	4.4	Inhibition of IgG binding to soluble human FcRn after 5 hrs by competition ELISA	20092334

Literature References

PubMed	DOI	Target Context	# Activities
20092334	10.1021/jm901128z	IgG receptor FcRn large subunit p51	3

Data from ChEMBL 36 via Core Engine