Compound Detail

CHEMBL5583975

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Cc1ccc2cc(-c3cc(S(=O)(=O)N(C)CC(=O)N4CCOC[C@@H]4C)ccc3N3CCCC3)[nH]c2c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5583975
Phase	Preclinical
Structure Type	MOL
InChI Key	AHVQTRMXTXRCRC-FQEVSTJZSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

510.7

MW (Da)

3.61

ALogP

HBA

HBD

86.0

PSA (Å²)

0.55

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

EC50 3 meas. best 9.0

Kd 2 meas. best 8.1

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	EC50	9.0	9.0	1.0	1
Human coronavirus 229E CHEMBL613837	EC50	8.3	8.3	5.0	1
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit STT3A CHEMBL6066234	Kd	8.1	8.1	7.9	1
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit STT3B CHEMBL6066236	Kd	8.1	8.1	7.9	1
Human respirovirus 3 CHEMBL613126	EC50	7.92	7.92	12.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	EC50	=	1.0	nM	9.0	Inhibition of STT3A/STT3B mediated N-linked glycosylation in human H1-HeLa cells...	39136957
Human coronavirus 229E	EC50	=	5.0	nM	8.3	Antiviral activity against Human coronavirus 229E infected in human MRC5 cells a...	39136957
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit STT3A	Kd	=	7.943	nM	8.1	Binding affinity to STT3A in human HepG2 cells assessed as apparent dissociation...	39136957
Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit STT3B	Kd	=	7.943	nM	8.1	Binding affinity to STT3B in human HepG2 cells assessed as apparent dissociation...	39136957
Human respirovirus 3	EC50	=	12.0	nM	7.92	Antiviral activity against Human parainfluenza virus 3 JS infected in human A549...	39136957

PubMed	DOI	Target Context	# Activities
39136957	10.1021/acs.jmedchem.4c01402	Unchecked	2
39136957	10.1021/acs.jmedchem.4c01402	A549	2
39136957	10.1021/acs.jmedchem.4c01402	Influenza A virus	1
39136957	10.1021/acs.jmedchem.4c01402	Human respirovirus 3	1
39136957	10.1021/acs.jmedchem.4c01402	Human coronavirus 229E	1
39136957	10.1021/acs.jmedchem.4c01402	SARS-CoV-2	1
39136957	10.1021/acs.jmedchem.4c01402	MRC5	1
39136957	10.1021/acs.jmedchem.4c01402	Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit STT3A	1
39136957	10.1021/acs.jmedchem.4c01402	Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit STT3B	1

Data from ChEMBL 36 via Core Engine