Compound Detail

CHEMBL3415948

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C1C[C@H]2[C@H]3[C@H]4[C@@H]1[C@@H]1[C@H]2[C@@H]2[C@H]3[C@@H]3CNC[C@@H]3[C@H]4[C@H]12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3415948
Phase	Preclinical
Structure Type	MOL
InChI Key	RXLHZSXVHCXNET-ADKSMTRFSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

227.3

MW (Da)

1.85

ALogP

HBA

HBD

12.0

PSA (Å²)

0.67

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 5.68

EC50 1 meas. best 6.27

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NON-PROTEIN TARGET CHEMBL3879801	EC50	6.27	6.27	540.0	1
Matrix protein 2 CHEMBL1932894	IC50	5.68	5.68	2100.0	1
Matrix protein 2 CHEMBL2052	IC50	4.76	4.76	17200.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NON-PROTEIN TARGET	EC50	=	540.0	nM	6.27	Antiviral activity against Influenza A virus (A/HK/7/87(H3N2)) infected in MDCK ...	25899336
Matrix protein 2	IC50	=	2100.0	nM	5.68	Inhibition of wild type Influenza A virus (A/udorn/1972(H3N2)) M2 channel expres...	25899336
Matrix protein 2	IC50	=	17200.0	nM	4.76	Inhibition of Influenza A virus (A/udorn/1972(H3N2)) M2 V27A mutant channel expr...	25899336

PubMed	DOI	Target Context	# Activities
25899336	10.1016/j.ejmech.2015.04.030	Matrix protein 2	5
25899336	10.1016/j.ejmech.2015.04.030	NON-PROTEIN TARGET	4
25899336	10.1016/j.ejmech.2015.04.030	Influenza A virus	2
25899336	10.1016/j.ejmech.2015.04.030	MDCK	2
25899336	10.1016/j.ejmech.2015.04.030	Influenza B virus	1

Data from ChEMBL 36 via Core Engine