Compound Detail

CHEMBL2289301

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CCOc1cccc(Oc2nc(OC)cc(OC)n2)c1C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2289301
Phase	Preclinical
Structure Type	MOL
InChI Key	WAINREHATCVFJU-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

320.3

MW (Da)

2.38

ALogP

HBA

HBD

100.0

PSA (Å²)

0.83

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 1 meas. best 7.65

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Acetolactate synthase, chloroplastic CHEMBL4263	IC50	7.65	7.65	22.4	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Acetolactate synthase, chloroplastic	IC50	=	22.39	nM	7.65	Inhibition of acetolactate synthase in 6-7 days old etiolated Pisum sativum (pea...	-

PubMed	DOI	Target Context	# Activities
-	10.1584/jpestics.21.293	Echinochloa crus-galli	6
-	10.1584/jpestics.21.293	Xanthium strumarium	4
-	10.1584/jpestics.21.293	Ipomoea lacunosa	4
-	10.1584/jpestics.21.293	Gossypium hirsutum	4
-	10.1584/jpestics.21.293	Zea mays	4
-	10.1584/jpestics.21.293	Glycine max	4
-	10.1584/jpestics.21.293	Abutilon theophrasti	4
-	10.1584/jpestics.21.293	Cyperus iria	2
-	10.1584/jpestics.21.293	Chenopodium album	2
-	10.1584/jpestics.21.293	Amaranthus retroflexus	2
-	10.1584/jpestics.21.293	Persicaria nodosa	2
-	10.1584/jpestics.21.293	Digitaria sanguinalis	2
-	10.1584/jpestics.21.293	Acetolactate synthase, chloroplastic	1

Data from ChEMBL 36 via Core Engine