Compound Detail

CHEMBL560314

UGONIN M

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CC1=CCCC(C)(C)C1Cc1c(O)c(O)cc2oc3c(=O)c4c(O)cc(O)cc4oc3c12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL560314
Name	UGONIN M
Phase	Preclinical
Structure Type	MOL
InChI Key	LONDNVXJGNYQEO-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

436.5

MW (Da)

5.44

ALogP

HBA

HBD

124.3

PSA (Å²)

0.24

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 4 meas. best 5.8

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NON-PROTEIN TARGET CHEMBL3879801	IC50	5.8	5.595	1600.0	2
RAW264.7 CHEMBL612557	IC50	5.6	5.6	2500.0	1
BV-2 CHEMBL614781	IC50	5.0	5.0	10100.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NON-PROTEIN TARGET	IC50	=	1600.0	nM	5.8	Antiinflammatory activity in human neutrophils assessed as inhibition of fMLP/Cy...	19583252
RAW264.7	IC50	=	2500.0	nM	5.6	Antiosteoporotic activity in mouse RAW264.7 cells assessed as inhibition of RANK...	28169537
NON-PROTEIN TARGET	IC50	=	4100.0	nM	5.39	Antiinflammatory activity in human neutrophils assessed as inhibition of fMLP/cy...	19583252
BV-2	IC50	=	10100.0	nM	5.0	Antiinflammatory activity in mouse BV2 cells assessed as inhibition of LPS-induc...	28169537

PubMed	DOI	Target Context	# Activities
19583252	10.1021/np900148a	NON-PROTEIN TARGET	2
28169537	10.1021/acs.jnatprod.5b01164	RAW264.7	2
19583252	10.1021/np900148a	ADMET	1
19583252	10.1021/np900148a	HepG2	1
19583252	10.1021/np900148a	MCF7	1
28169537	10.1021/acs.jnatprod.5b01164	BV-2	1

Data from ChEMBL 36 via Core Engine