Compound Detail

CHEMBL1774312

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NC1CCC2(CCCCC2)CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1774312
Phase	Preclinical
Structure Type	MOL
InChI Key	BAERJJQGHJOXHR-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

167.3

MW (Da)

2.84

ALogP

HBA

HBD

26.0

PSA (Å²)

0.59

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 4.9

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Matrix protein 2 CHEMBL1932894	IC50	4.9	4.9	12600.0	1
Unchecked CHEMBL612545	IC50	4.9	4.9	12600.0	1
Matrix protein 2 CHEMBL2052	IC50	4.07	4.07	84900.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	12600.0	nM	4.9	Inhibition of Influenza A virus M2 ion channel by two-electrode voltage clamp as...	24237039
Matrix protein 2	IC50	=	12600.0	nM	4.9	Inhibition of wild type influenza A virus A/Udorn/72 matrix protein 2 expressed ...	38330869
Matrix protein 2	IC50	=	84900.0	nM	4.07	Inhibition of Influenza A virus M2 ion channel V27A mutant by two-electrode volt...	24237039
Matrix protein 2	IC50	=	84900.0	nM	4.07	Inhibition of influenza A virus A/Udorn/72 matrix protein 2 V27A mutant expresse...	38330869

PubMed	DOI	Target Context	# Activities
38330869	10.1016/j.ejmech.2024.116172	Matrix protein 2	2
21466220	10.1021/jm101334y	Matrix protein 2	1
24237039	10.1021/jm401340p	Matrix protein 2	1
24237039	10.1021/jm401340p	Unchecked	1

Data from ChEMBL 36 via Core Engine