Compound Detail

CHEMBL4444941

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CCN1C(=O)CC(SC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(C)=O)C(C)C)C(C)C)C(N)=O)C1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4444941
Phase	Preclinical
Structure Type	MOL
InChI Key	BDKRTYBYLACRQS-VNENSQMISA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

2575.0

MW (Da)

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C118H180N32O31S
MW	2575.00

Activity Summary

IC50 1 meas. best 8.53

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Tissue factor pathway inhibitor CHEMBL3713062	IC50	8.53	8.53	3.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Tissue factor pathway inhibitor	IC50	=	2.97	nM	8.53	Binding affinity to TFPI (unknown origin) incubated for 1.5 hrs using tracer pep...	-

Data from ChEMBL 36 via Core Engine