Compound Detail

CHEMBL594151

DEHYDROALTENUSIN

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COc1cc(O)c2c(c1)C1=CC(=O)C(O)=CC1(C)OC2=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL594151
Name	DEHYDROALTENUSIN
Phase	Preclinical
Structure Type	MOL
InChI Key	YWYZLBQRCUAQAV-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

288.2

MW (Da)

1.74

ALogP

HBA

HBD

93.1

PSA (Å²)

0.76

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 4 meas. best 6.17

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	6.17	6.17	680.0	1
Myosin light chain kinase, smooth muscle CHEMBL2428	IC50	6.16	6.16	690.0	1
RAW264.7 CHEMBL612557	IC50	4.41	4.41	39100.0	1
DNA polymerase beta CHEMBL4343	IC50	4.19	4.19	64000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	680.0	nM	6.17	Inhibition of calf thymus DNA polymerase alpha by [3H]dTTP incorporation assay	19767211
Myosin light chain kinase, smooth muscle	IC50	=	690.0	nM	6.16	Inhibition of MLCK	19767211
RAW264.7	IC50	=	39100.0	nM	4.41	Antiinflammatory activity in mouse RAW 264.7 cells assessed as inhibition of LPS...	35007071
DNA polymerase beta	IC50	=	64000.0	nM	4.19	Inhibition of rat DNA polymerase beta by [3H]dTTP incorporation assay	19767211

PubMed	DOI	Target Context	# Activities
19767211	10.1016/j.bmc.2009.08.051	Unchecked	4
19767211	10.1016/j.bmc.2009.08.051	DNA polymerase beta	1
19767211	10.1016/j.bmc.2009.08.051	Myosin light chain kinase, smooth muscle	1
35007071	10.1021/acs.jnatprod.1c00900	RAW264.7	1

Data from ChEMBL 36 via Core Engine