Compound Detail

CHEMBL4756267

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

C[C@@H](N1CN([C@H]2c3ccccc3CSc3cccc(F)c32)n2ccc(=O)c(O)c2C1=O)C(F)(F)F

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4756267
Phase	Preclinical
Structure Type	MOL
InChI Key	OELCNQLKZGKLRC-XCLFUZPHSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

505.5

MW (Da)

4.39

ALogP

HBA

HBD

65.8

PSA (Å²)

0.52

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 7.82

IC50 2 meas. best 7.43

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	EC50	7.82	7.82	15.0	1
Influenza A virus CHEMBL613740	EC50	7.82	7.82	15.1	1
Unchecked CHEMBL612545	IC50	7.43	7.43	37.0	2

Parameter	Value	Units	Species
CL	9.09	mL.min-1.kg-1	Rattus norvegicus
Fu	0.0119	-	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Influenza A virus	EC50	=	15.1	nM	7.82	Antiviral activity against Influenza A virus (A/WSN/1933(H1N1)) infected in dog ...	32927030
Unchecked	EC50	=	15.0	nM	7.82	CPE Inhibitory Effect Confirming Assay: A test sample was diluted with a culture...	-
Unchecked	IC50	=	37.1	nM	7.43	Inhibition of Influenza virus Cap-dependent endonuclease	32927030
Unchecked	IC50	=	37.0	nM	7.43	CPE Inhibitory Effect Confirming Assay: A test sample was diluted with a culture...	-

PubMed	DOI	Target Context	# Activities
32927030	10.1016/j.bmcl.2020.127547	ADMET	3
32927030	10.1016/j.bmcl.2020.127547	Unchecked	1
32927030	10.1016/j.bmcl.2020.127547	Influenza A virus	1

Data from ChEMBL 36 via Core Engine