Compound Detail

CHEMBL5280306

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CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5280306
Phase	Preclinical
Structure Type	MOL
InChI Key	IFMJSYQQPWJQEL-AHNRHFCJSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

3370.9

MW (Da)

Drug Information

Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C156H225N37O43S2
MW	3370.87

Activity Summary

EC50 1 meas. best 6.6

IC50 1 meas. best 7.7

Kd 1 meas. best 8.26

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Proprotein convertase subtilisin/kexin type 9 CHEMBL2929	Kd	8.26	8.26	5.5	1
Proprotein convertase subtilisin/kexin type 9 CHEMBL2929	IC50	7.7	7.7	20.0	1
Proprotein convertase subtilisin/kexin type 9 CHEMBL2929	EC50	6.6	6.6	250.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Proprotein convertase subtilisin/kexin type 9	Kd	=	5.5	nM	8.26	Binding affinity to human PCSK9	36446632
Proprotein convertase subtilisin/kexin type 9	IC50	=	20.0	nM	7.7	Inhibition of human PCSK9	36446632
Proprotein convertase subtilisin/kexin type 9	EC50	=	250.0	nM	6.6	Inhibition of PCSK9 mediated LDLR degradation in human HepG2 cells assessed as r...	36446632

Literature References

PubMed	DOI	Target Context	# Activities
36446632	10.1021/acs.jmedchem.2c01290	Proprotein convertase subtilisin/kexin type 9	4

Data from ChEMBL 36 via Core Engine