Compound Detail

CHEMBL51501

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Nc1[nH]c(Nc2cc(Cl)cc(Cl)c2)nc2ncnc1-2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL51501
Phase	Preclinical
Structure Type	MOL
InChI Key	QAYWNNKVCPTPMF-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

295.1

MW (Da)

2.94

ALogP

HBA

HBD

92.5

PSA (Å²)

0.68

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 7 meas. best 6.04

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
DNA helicase/primase complex protein CHEMBL4380	IC50	6.04	6.04	920.0	1
HEL CHEMBL613888	IC50	5.3	4.9333	5000.0	3
HeLa CHEMBL399	IC50	4.68	4.42	21000.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
DNA helicase/primase complex protein	IC50	=	920.0	nM	6.04	Inhibition against DNA-Dependent GTPase activity of HSV-1 helicase-primase in HS...	7752206
HEL	IC50	=	5000.0	nM	5.3	Inhibitory activity against HCMV DNA synthesis in virus infected cells	7752205
HEL	IC50	=	8000.0	nM	5.1	Inhibition of human CMV DNA synthesis in CMV-infected HEL cells.	7752205
HeLa	IC50	=	21000.0	nM	4.68	Inhibition of [3H]thymidine incorporation into the DNA of uninfected HeLa cells	7752206
HEL	IC50	=	40000.0	nM	4.4	Inhibition against DNA of uninfected HEL cells by incorporation of [3H]TdR.	7752205
HeLa	IC50	=	69000.0	nM	4.16	Inhibition of HSV-1 DNA synthesis in virus-infected HeLa cells	7752206

PubMed	DOI	Target Context	# Activities
7752205	10.1021/jm00010a026	HEL	4
7752206	10.1021/jm00010a027	DNA helicase/primase complex protein	2
7752206	10.1021/jm00010a027	HeLa	2
7752205	10.1021/jm00010a026	Nucleic Acid	1

Data from ChEMBL 36 via Core Engine