Compound Detail

CHEMBL2180871

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)N[C@@H](CCCCN)C(=O)NCCCCN=[N+]=[N-])C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC1=O)[C@@H](C)CC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2180871
Phase	Preclinical
Structure Type	MOL
InChI Key	ZGWADEGBNVJRPG-JXEJUMKVSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

2455.9

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C109H167N31O30S2
MW	2455.86

Activity Summary

Kd 2 meas. best 7.62

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Albumin CHEMBL1075271	Kd	7.62	7.62	24.0	1
Albumin CHEMBL3253	Kd	6.49	6.49	321.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Albumin	Kd	=	24.0	nM	7.62	Binding affinity to mouse serum albumin by fluorescence polarization assay	23088498
Albumin	Kd	=	321.0	nM	6.49	Binding affinity to human serum albumin by fluorescence polarization assay	23088498

Literature References

PubMed	DOI	Target Context	# Activities
23088498	10.1021/jm301276e	Albumin	2

Data from ChEMBL 36 via Core Engine