Compound Detail

CHEMBL14193

4-HYDROXYBENZALDEHYDE

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O=Cc1ccc(O)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL14193
Name	4-HYDROXYBENZALDEHYDE
Phase	Preclinical
Structure Type	MOL
InChI Key	RGHHSNMVTDWUBI-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

122.1

MW (Da)

1.20

ALogP

HBA

HBD

37.3

PSA (Å²)

0.57

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 16 meas. best 5.48

EC50 2 meas. best 4.52

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NON-PROTEIN TARGET CHEMBL3879801	IC50	5.48	5.48	3300.0	1
Replicase polyprotein 1ab CHEMBL4523582	IC50	5.4	5.4	3990.0	1
4-aminobutyrate aminotransferase, mitochondrial CHEMBL2044	IC50	4.78	4.78	16500.0	1
4-aminobutyrate aminotransferase, mitochondrial CHEMBL3148	IC50	4.78	4.78	16500.0	1
Succinate-semialdehyde dehydrogenase, mitochondrial CHEMBL1911	IC50	4.61	4.61	24700.0	1
NON-PROTEIN TARGET CHEMBL3879801	EC50	4.52	4.52	30200.0	1
HT-22 CHEMBL614316	EC50	4.48	4.48	33200.0	1
Unchecked CHEMBL612545	IC50	4.46	4.46	35000.0	1
B16-F10 CHEMBL612656	IC50	4.15	4.15	70740.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NON-PROTEIN TARGET	IC50	=	3300.0	nM	5.48	Antiinflammatory activity in human neutrophils assessed as inhibition of fMLP/CB...	27525452
Replicase polyprotein 1ab	IC50	=	3990.0	nM	5.4	Inhibition of SARS-CoV-2 papain-like protease using ISG15-Rh as substrate	35620927
4-aminobutyrate aminotransferase, mitochondrial	IC50	=	16500.0	nM	4.78	Inhibitory activity against GABAT	16290145
4-aminobutyrate aminotransferase, mitochondrial	IC50	=	16500.0	nM	4.78	Inhibition of GABA transaminase in rat brain by Kitz-Wilson plot	19138517
Succinate-semialdehyde dehydrogenase, mitochondrial	IC50	=	24700.0	nM	4.61	Inhibitory activity against SSADH	16290145
NON-PROTEIN TARGET	EC50	=	30200.0	nM	4.52	Neuroprotective activity in human SH-SY5Y cells assessed as reduction in 6-OHDA-...	27420919
HT-22	EC50	=	33200.0	nM	4.48	Neuroprotective activity against glutamate-induced cell death in mouse HT-22 cel...	32991171
Unchecked	IC50	=	35000.0	nM	4.46	Inhibition of xanthine oxidase	21476569
B16-F10	IC50	=	70740.0	nM	4.15	Cytotoxicity against mouse B16F10 cells assessed as reduction in cell viability	30594028

PubMed	DOI	Target Context	# Activities
26986086	10.1016/j.ejmech.2016.03.008	Unchecked	11
3599019	10.1021/jm00390a002	No relevant target	6
27756508	10.1016/j.bmc.2016.10.001	Mushroom tyrosinase	4
9461664	10.1021/np970293i	NON-PROTEIN TARGET	4
27756508	10.1016/j.bmc.2016.10.001	Mus musculus	4
20189399	10.1016/j.bmc.2010.01.046	ADMET	4
27756508	10.1016/j.bmc.2016.10.001	NON-PROTEIN TARGET	4
6802973	10.1021/jm00345a016	No relevant target	3
25752525	10.1016/j.ejmech.2015.02.037	No relevant target	3
16279782	10.1021/jm050567w	L1210	2
17258462	10.1016/j.bmc.2006.12.038	Unchecked	2
27525452	10.1021/acs.jnatprod.6b00118	NON-PROTEIN TARGET	2
23379671	10.1021/jf305164m	Meloidogyne incognita	2
28783339	10.1021/acs.jnatprod.7b00085	No relevant target	2
19552984	10.1016/j.ejmech.2009.05.023	Tyrosinase	2
894678	10.1021/jm00218a017	No relevant target	2
8759172	10.1021/np9602325	Plasmodium falciparum	2
8759172	10.1021/np9602325	Unchecked	2
18996693	10.1016/j.bmcl.2008.10.056	Tyrosinase	2
6802973	10.1021/jm00345a016	Bacillus subtilis	2

Data from ChEMBL 36 via Core Engine