Compound Detail

CHEMBL169748

Enter ChEMBL ID:

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

CC(C)(C)c1ccc(Cn2cc(C(N)=O)c3c(N)ncnc32)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL169748
Phase	Preclinical
Structure Type	MOL
InChI Key	IROXYZBUGFVZDM-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

323.4

MW (Da)

2.46

ALogP

HBA

HBD

99.8

PSA (Å²)

0.77

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.05

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
KB CHEMBL398	IC50	6.05	6.05	900.0	1
Human betaherpesvirus 5 CHEMBL371	IC50	4.55	4.55	28000.0	1
Human alphaherpesvirus 1 CHEMBL377	IC50	4.3	4.3	50000.0	1
HFF CHEMBL614071	IC50	4.0	4.0	100000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
KB	IC50	=	900.0	nM	6.05	Cytotoxic activity tested against exponentially growing KB cells, determined by ...	8632411
Human betaherpesvirus 5	IC50	=	28000.0	nM	4.55	Antiviral activity against Human Cytomegalovirus (HCMV) replication in a plaque ...	8632411
Human alphaherpesvirus 1	IC50	=	50000.0	nM	4.3	Antiviral activity against HSV-1 replication was evaluated by ELISA	8632411
HFF	IC50	=	100000.0	nM	4.0	Cytotoxicity against HFF cells, estimated by visual scoring of cells not affecte...	8632411

PubMed	DOI	Target Context	# Activities
8632411	10.1021/jm950444j	Human betaherpesvirus 5	1
8632411	10.1021/jm950444j	Human alphaherpesvirus 1	1
8632411	10.1021/jm950444j	HFF	1
8632411	10.1021/jm950444j	KB	1

Data from ChEMBL 36 via Core Engine