Compound Detail

CHEMBL561780

UGONIN T

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CC1Oc2cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c(O)c2C1(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL561780
Name	UGONIN T
Phase	Preclinical
Structure Type	MOL
InChI Key	TZSQNOYZVLLQQY-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

354.4

MW (Da)

3.64

ALogP

HBA

HBD

100.1

PSA (Å²)

0.58

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 4 meas. best 6.6

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NON-PROTEIN TARGET CHEMBL3879801	IC50	6.6	6.26	250.0	2
Neutrophil CHEMBL5314326	IC50	6.6	6.26	250.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NON-PROTEIN TARGET	IC50	=	250.0	nM	6.6	Antiinflammatory activity in human neutrophils assessed as inhibition of fMLP/cy...	19583252
Neutrophil	IC50	=	250.0	nM	6.6	Inhibition of fMLF/CB-induced human Neutrophil activation assessed as reduction ...	37683361
NON-PROTEIN TARGET	IC50	=	1200.0	nM	5.92	Antiinflammatory activity in human neutrophils assessed as inhibition of fMLP/Cy...	19583252
Neutrophil	IC50	=	1200.0	nM	5.92	Inhibition of fMLF/CB-induced human Neutrophil activation assessed as reduction ...	37683361

PubMed	DOI	Target Context	# Activities
19583252	10.1021/np900148a	NON-PROTEIN TARGET	2
37683361	10.1016/j.ejmech.2023.115791	Neutrophil	2
19583252	10.1021/np900148a	ADMET	1
19583252	10.1021/np900148a	HepG2	1
19583252	10.1021/np900148a	MCF7	1

Data from ChEMBL 36 via Core Engine