Compound Detail

CHEMBL3930464

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CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O)C(C)C)C(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3930464
Phase	Preclinical
Structure Type	BOTH
InChI Key	LPLLBHIEIAEQHX-JRKKXIITSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

2398.9

MW (Da)

Drug Information

Molecule Type	Protein
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C115H184N32O24
MW	2398.94

Activity Summary

EC50 5 meas. best 6.92

IC50 2 meas. best 7.47

Kd 1 meas. best 7.63

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	Kd	7.63	7.63	23.3	1
Tissue factor pathway inhibitor CHEMBL3713062	IC50	7.47	7.47	34.0	2
Tissue factor pathway inhibitor CHEMBL3713062	EC50	6.92	6.74	120.0	5

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	Kd	=	23.3	nM	7.63	Binding affinity to C-terminal 10x-His-tagged human TFPI-1 (29 to 282 residues) ...	-
Tissue factor pathway inhibitor	IC50	=	34.0	nM	7.47	Binding affinity to immobilized human TFPI-1alpha assessed as inhibition of biot...	-
Tissue factor pathway inhibitor	IC50	=	34.0	nM	7.47	Binding affinity to TFPI (unknown origin) incubated for 1.5 hrs using tracer pep...	-
Tissue factor pathway inhibitor	EC50	=	120.0	nM	6.92	Inhibition of TFPI in FVIII inhibited human plasma assessed as reduction in thro...	-
Tissue factor pathway inhibitor	EC50	=	120.0	nM	6.92	Inhibition of TFPI in human plasma with induced factor-8 deficiency assessed as ...	-
Tissue factor pathway inhibitor	EC50	=	120.0	nM	6.92	Inhibition of TFPI in human plasma with induced factor-8 deficiency assessed as ...	-
Tissue factor pathway inhibitor	EC50	=	310.0	nM	6.51	Inhibition of TFPI (unknown origin) using FXa-specific chromogenic substrate S22...	-
Tissue factor pathway inhibitor	EC50	=	370.0	nM	6.43	Inhibition of C-terminus 10x-His-taged human TFPI-1 (29 to 282 residues) assesse...	-

Data from ChEMBL 36 via Core Engine