Compound Detail

CHEMBL74675

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COc1cc(OC)c2c(=O)c(O)c(-c3ccc(OC)c(OC)c3)oc2c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL74675
Phase	Preclinical
Structure Type	MOL
InChI Key	AAASNKNLMQBKFV-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

358.4

MW (Da)

3.20

ALogP

HBA

HBD

87.4

PSA (Å²)

0.75

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 2 meas. best 4.58

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Human betaherpesvirus 5 CHEMBL371	IC50	4.58	4.58	26000.0	1
Influenza A virus CHEMBL613740	IC50	4.44	4.44	36000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Human betaherpesvirus 5	IC50	=	26000.0	nM	4.58	Antiviral activity against HCMV in MRC5 cells by plaque reduction assay	17239594
Influenza A virus	IC50	=	36000.0	nM	4.44	Antiviral activity against Influenza A virus A/PR/8/34 (H1N1) infected in MDCK c...	35196598

PubMed	DOI	Target Context	# Activities
9632366	10.1021/jm970842h	Tubulin	2
22743241	10.1016/j.ejmech.2012.05.026	ADMET	2
22743241	10.1016/j.ejmech.2012.05.026	Broad substrate specificity ATP-binding cassette transporter ABCG2	2
9632366	10.1021/jm970842h	Panel NCI-60 (60 carcinoma cell lines)	1
17239594	10.1016/j.bmcl.2006.12.085	MRC5	1
17239594	10.1016/j.bmcl.2006.12.085	Human betaherpesvirus 5	1
17239594	10.1016/j.bmcl.2006.12.085	Unchecked	1
469554	10.1021/np50001a002	L1210	1
22743241	10.1016/j.ejmech.2012.05.026	L929	1
22743241	10.1016/j.ejmech.2012.05.026	Unchecked	1
22743241	10.1016/j.ejmech.2012.05.026	Multidrug resistance-associated protein 1	1
35196598	10.1016/j.ejmech.2022.114189	Influenza A virus	1

Data from ChEMBL 36 via Core Engine