Compound Detail

CHEMBL3894045

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CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)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](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)NCCCOCCOCCOCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(C)C)C(C)C)C(N)=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3894045
Phase	Preclinical
Structure Type	MOL
InChI Key	SUDIHHRQYWBXOX-LFNPCPFRSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

2973.6

MW (Da)

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C138H218N36O35S
MW	2973.55

Activity Summary

EC50 4 meas. best 8.85

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Tissue factor pathway inhibitor CHEMBL3713062	EC50	8.85	6.945	1.4	4

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Tissue factor pathway inhibitor	EC50	=	1.4	nM	8.85	Binding affinity to immobilized human TFPI-1alpha using biotinylated compound in...	-
Tissue factor pathway inhibitor	EC50	=	490.0	nM	6.31	Inhibition of TFPI (unknown origin) using FXa-specific chromogenic substrate S22...	-
Tissue factor pathway inhibitor	EC50	=	490.0	nM	6.31	Inhibition of C-terminus 10x-His-taged human TFPI-1 (29 to 282 residues) assesse...	-
Tissue factor pathway inhibitor	EC50	=	490.0	nM	6.31	Inhibition of C-terminus 10x-His-taged human TFPI-1 (29 to 282 residues) assesse...	-

Data from ChEMBL 36 via Core Engine