Compound Detail

CHEMBL4469619

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CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4469619
Phase	Preclinical
Structure Type	MOL
InChI Key	QHRSMOIHVPXSGN-MFMIKQJCSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

2121.3

MW (Da)

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C94H129N25O30S
MW	2121.28

Activity Summary

Ki 1 meas. best 6.41

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Disabled homolog 2-interacting protein CHEMBL4523330	Ki	6.41	6.41	390.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Disabled homolog 2-interacting protein	Ki	=	390.0	nM	6.41	Binding affinity to human Dab2 DH domain (33 to 191 residues) expressed in Esche...	-

Data from ChEMBL 36 via Core Engine