Compound Detail

CHEMBL5278470

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CC[C@H](C)[C@H](NC(=O)[C@H](CCCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1(N)CCC(c2ccccc2)CC1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5278470
Phase	Preclinical
Structure Type	MOL
InChI Key	GNPNHJBMXRSFCP-LQPPUZIUSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

1483.9

MW (Da)

Drug Information

Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C73H118N20O13
MW	1483.87

Activity Summary

IC50 3 meas. best 7.4

Kd 1 meas. best 6.41

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Proprotein convertase subtilisin/kexin type 9 CHEMBL2929	IC50	7.4	6.4267	40.0	3
Proprotein convertase subtilisin/kexin type 9 CHEMBL2929	Kd	6.41	6.41	390.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Proprotein convertase subtilisin/kexin type 9	IC50	=	40.0	nM	7.4	Inhibition of human PCSK9 preincubated for 30 mins followed by ab20 addition and...	36446632
Proprotein convertase subtilisin/kexin type 9	Kd	=	390.0	nM	6.41	Binding affinity to human PCSK9	36446632
Proprotein convertase subtilisin/kexin type 9	IC50	=	720.0	nM	6.14	Inhibition of human PCSK9 preincubated for 30 mins followed by EGF(A) addition a...	36446632
Proprotein convertase subtilisin/kexin type 9	IC50	=	1830.0	nM	5.74	Inhibition of human PCSK9 preincubated for 30 mins followed by LDLR addition and...	36446632

Literature References

PubMed	DOI	Target Context	# Activities
36446632	10.1021/acs.jmedchem.2c01290	Proprotein convertase subtilisin/kexin type 9	5

Data from ChEMBL 36 via Core Engine