Compound Detail

CHEMBL552527

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CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](CCSC)C(N)=O)C(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL552527
Phase	Preclinical
Structure Type	BOTH
InChI Key	FMBGOORJEKQQLG-JUZZZACGSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

856.1

MW (Da)

1.19

ALogP

HBA

HBD

276.6

PSA (Å²)

0.05

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 4 meas. best 10.15

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
N-formyl peptide receptor 2 CHEMBL4227	EC50	10.15	9.575	0.1	2
N-formyl peptide receptor 3 CHEMBL5646	EC50	8.0	8.0	10.0	1
fMet-Leu-Phe receptor CHEMBL3359	EC50	6.3	6.3	500.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
N-formyl peptide receptor 2	EC50	=	0.07	nM	10.15	Agonist activity at human FPR2	38199163
N-formyl peptide receptor 2	EC50	=	1.0	nM	9.0	Agonist activity at FPRL1 expressed in human HL60 cells assessed as induction of...	19639995
N-formyl peptide receptor 3	EC50	=	10.0	nM	8.0	Agonist activity at FPRL2 expressed in human HL60 cells assessed as induction of...	19639995
fMet-Leu-Phe receptor	EC50	=	500.0	nM	6.3	Agonist activity at FPR1 expressed in human HL60 cells assessed as induction of ...	19639995

PubMed	DOI	Target Context	# Activities
19639995	10.1021/jm900592h	fMet-Leu-Phe receptor	1
19639995	10.1021/jm900592h	N-formyl peptide receptor 2	1
19639995	10.1021/jm900592h	N-formyl peptide receptor 3	1
20870313	10.1016/j.ejmech.2010.09.001	fMet-Leu-Phe receptor	1
20870313	10.1016/j.ejmech.2010.09.001	N-formyl peptide receptor 2	1
38199163	10.1016/j.ejmech.2023.115989	N-formyl peptide receptor 2	1

Data from ChEMBL 36 via Core Engine