Compound Detail

CHEMBL3144503

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NC(=O)CC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3144503
Phase	Preclinical
Structure Type	MOL
InChI Key	BCRZWUKUZGBBLX-NSOVKSMOSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

553.7

MW (Da)

2.55

ALogP

HBA

HBD

146.2

PSA (Å²)

0.16

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 3 meas. best 5.92

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Bombesin receptor subtype-3 CHEMBL4080	EC50	5.92	5.92	1200.0	1
Neuromedin-B receptor CHEMBL3636	EC50	4.82	4.82	15000.0	1
Gastrin-releasing peptide receptor CHEMBL4959	EC50	4.72	4.72	19100.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Bombesin receptor subtype-3	EC50	=	1200.0	nM	5.92	Effective concentration required against human bombesin receptor 3 (BRS-3) in CH...	12723954
Neuromedin-B receptor	EC50	=	15000.0	nM	4.82	Effective concentration required against nueromedin B receptor (NMB-R) in CHO ce...	12723954
Gastrin-releasing peptide receptor	EC50	=	19100.0	nM	4.72	Effective concentration required against gastrin releasing peptide receptor (GRP...	12723954

PubMed	DOI	Target Context	# Activities
12723954	10.1021/jm0210921	Neuromedin-B receptor	1
12723954	10.1021/jm0210921	Gastrin-releasing peptide receptor	1
12723954	10.1021/jm0210921	Bombesin receptor subtype-3	1
12723954	10.1021/jm0210921	ADMET	1
12723954	10.1021/jm0210921	No relevant target	1

Data from ChEMBL 36 via Core Engine