Compound Detail

CHEMBL1284

3,4-DIHYDROXYPHENYLACETIC ACID

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O=C(O)Cc1ccc(O)c(O)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1284
Name	3,4-DIHYDROXYPHENYLACETIC ACID
Phase	Preclinical
Structure Type	MOL
InChI Key	CFFZDZCDUFSOFZ-UHFFFAOYSA-N

DOPAC

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

168.2

MW (Da)

0.72

ALogP

HBA

HBD

77.8

PSA (Å²)

0.57

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 7 meas. best 5.38

EC50 2 meas. best 4.54

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Intestinal-type alkaline phosphatase CHEMBL3151	IC50	5.38	5.38	4170.0	1
Plasmodium falciparum CHEMBL364	IC50	5.3	5.3	5011.9	1
No relevant target CHEMBL2362975	IC50	4.75	4.665	18000.0	2
Radical scavenging activity CHEMBL613712	IC50	4.58	4.58	26000.0	1
Zinc finger protein mex-5 CHEMBL1293319	EC50	4.54	4.54	28895.0	1
RNA-binding protein pos-1 CHEMBL1293304	EC50	4.3	4.3	49832.0	1
Unchecked CHEMBL612545	IC50	4.12	4.12	75000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Intestinal-type alkaline phosphatase	IC50	=	4170.0	nM	5.38	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ...	-
Plasmodium falciparum	IC50	=	5011.87	nM	5.3	Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr...	19734910
No relevant target	IC50	=	18000.0	nM	4.75	Antioxidant activity assessed as ABTS radical scavenging activity measured after...	30784884
Radical scavenging activity	IC50	=	26000.0	nM	4.58	Antioxidant activity assessed as DPPH free radical scavenging activity by UV-Vis...	22385675
No relevant target	IC50	=	26200.0	nM	4.58	Antioxidant activity assessed as DPPH radical scavenging activity measured after...	30784884
Zinc finger protein mex-5	EC50	=	28895.0	nM	4.54	PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden...	-
RNA-binding protein pos-1	EC50	=	49832.0	nM	4.3	PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden...	-
Unchecked	IC50	=	75000.0	nM	4.12	Inhibition of M-CSF/RANKL-induced osteoclast differentiation in C57BL/6 mouse bo...	31257875

PubMed	DOI	Target Context	# Activities
30784884	10.1016/j.ejmech.2019.01.055	No relevant target	4
30850166	10.1016/j.bmcl.2019.02.032	Unchecked	2
30850166	10.1016/j.bmcl.2019.02.032	NIH3T3	2
31257875	10.1021/acs.jmedchem.9b00270	MC3T3-E1	2
37487307	10.1016/j.ejmech.2023.115672	Mushroom tyrosinase	2
14640548	10.1021/jm030956v	MOLT-3	1
19520580	10.1016/j.bmc.2009.05.042	Histone deacetylase	1
19734910	10.1038/nchembio.215	Plasmodium falciparum	1
17417631	10.1038/nchembio873	Unchecked	1
22385675	10.1016/j.ejmech.2012.02.018	Radical scavenging activity	1
22385675	10.1016/j.ejmech.2012.02.018	No relevant target	1
12358729	10.1046/j.1471-4159.2002.01108.x	Organic anion transporter 3	1
24245939	10.1021/np400518k	HT-22	1
24803363	10.1016/j.bmcl.2014.04.057	NON-PROTEIN TARGET	1
30850166	10.1016/j.bmcl.2019.02.032	No relevant target	1
31257875	10.1021/acs.jmedchem.9b00270	Unchecked	1

Data from ChEMBL 36 via Core Engine