Compound Detail

CHEMBL448399

HYDROXYTOLUIC ACID

🧪 Phase II

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🧪 Phase II

Cc1cccc(C(=O)O)c1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL448399
Name	HYDROXYTOLUIC ACID
Phase	Phase II
Structure Type	MOL
InChI Key	WHSXTWFYRGOBGO-UHFFFAOYSA-N

3 MS 3-MS Acide hydroxytoluique Acido hidroxitoluico Cresotic acid, o- Hydroxytoluic acid NSC-17561 O-cresotic acid

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

152.2

MW (Da)

1.40

ALogP

HBA

HBD

57.5

PSA (Å²)

0.64

QED

Ro5 Violations

Rot. Bonds

Molecule Type	Small molecule
Chirality	Achiral

Natural Product

IC50 2 meas.

Ki 2 meas.

PubMed	DOI	Target Context	# Activities
18819808	10.1016/j.bmc.2008.09.028	Carbonic anhydrase 2	2
-	10.6019/CHEMBL4808148	Histone deacetylase 6	2
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
18819808	10.1016/j.bmc.2008.09.028	Carbonic anhydrase 1	2
21189019	10.1021/jm101266s	Stromelysin-1	1
21189019	10.1021/jm101266s	Matrix metalloproteinase-9	1
21189019	10.1021/jm101266s	Lethal factor	1
21189019	10.1021/jm101266s	Interstitial collagenase	1
21189019	10.1021/jm101266s	72 kDa type IV collagenase	1
21189019	10.1021/jm101266s	Polyunsaturated fatty acid 5-lipoxygenase	1
21189019	10.1021/jm101266s	Neutrophil collagenase	1
21189019	10.1021/jm101266s	Tyrosinase	1
-	10.1007/s00044-009-9162-3	Rattus norvegicus	1
23571415	10.1124/mol.112.084152	Solute carrier organic anion transporter family member 1B1	1
23571415	10.1124/mol.112.084152	Solute carrier organic anion transporter family member 1B3	1
24262887	10.1016/j.bmc.2013.10.037	Indoleamine 2,3-dioxygenase 1	1
-	10.21203/rs.3.rs-23951/v1	SARS-CoV-2	1
-	10.6019/CHEMBL4495564	Replicase polyprotein 1ab	1
21189019	10.1021/jm101266s	Nitric oxide synthase, inducible	1

Data from ChEMBL 36 via Core Engine