Hexylresorcinol

Summary

Hexylresorcinol (CHEMBL443605) is an approved small molecule (ATC R02AA12).

At a glance

• Status: Approved (max clinical phase 4)
• Modality: Small molecule
• ATC class: R02AA12
• Chemistry: 194.27 Da · C12H18O2

Identifiers

Drug identity and classification

Field	Value
ChEMBL ID	CHEMBL443605
Name	Hexylresorcinol
Type	Small molecule
Max phase	4
FDA approved	yes
PubChem CID	3610
ATC	R02AA12
Molecular formula	C12H18O2
Molecular weight	194.27
InChIKey	WFJIVOKAWHGMBH-UHFFFAOYSA-N

SMILES: CCCCCCC1=C(C=C(C=C1)O)O

IUPAC name: 4-hexylbenzene-1,3-diol

Also known as: E-586, Hexylresorcinol, INS NO.586, INS-586, SID17388779, SID26747321, SID26752939, SID56436657, SID68346, SID144204653, HEXYLRESORCINOL, SID144210675

Patent coverage: 3,841 distinct patent families (10,669 SureChEMBL compound mentions), from 2 matched compound structure(s). One matched structure accounts for 10,339 (97%) of the total. Mentions count patents naming the compound (not distinct inventions), so promiscuous / reference molecules inflate the mention figure — families are the dedup metric.

Targets

Targets

Broader ChEMBL bioactivity targets: 16 (assay-derived). Sample: Tyrosyl-DNA phosphodiesterase 1, Microtubule-associated protein tau, Nuclear receptor ROR-gamma, Ferritin light chain, Thyrotropin receptor, Tyrosinase, Beta-lactamase, Menin/Histone-lysine N-methyltransferase MLL, Polyunsaturated fatty acid 5-lipoxygenase, Polyunsaturated fatty acid lipoxygenase ALOX15.

Bioactivity

ChEMBL activities: 14 potent at pChembl ≥ 5 of 26 total. Top 30 by potency (10 = 0.1 nM, 6 = 1 µM):

Target	pChembl	Type	Value	Unit	Activity ID
O42713	6.25	IC50	560	nM	CHEMBL_ACT_13862305
TYR	6.25	IC50	560	nM	CHEMBL_ACT_15725019
O42713	6.21	IC50	610	nM	CHEMBL_ACT_18877196
O42713	6.01	IC50	980	nM	CHEMBL_ACT_2246697
C7FF04	5.92	IC50	1200	nM	CHEMBL_ACT_22849493
CYP3A4	5.9	Potency	1259	nM	CHEMBL_ACT_4957216
CYP3A4	5.9	Potency	1259	nM	CHEMBL_ACT_5018375
P51450	5.6	Potency	2512	nM	CHEMBL_ACT_4102800
ALOX5	5.55	IC50	2800	nM	CHEMBL_ACT_13893299
P00811	5.5	Potency	3162	nM	CHEMBL_ACT_4685138
ALOX5	5.34	IC50	4600	nM	CHEMBL_ACT_13893300
MAPT	5.3	Potency	5012	nM	CHEMBL_ACT_3962504
MAPT	5.3	Potency	5012	nM	CHEMBL_ACT_4525974
P02791	5	Potency	10000	nM	CHEMBL_ACT_4492009

Target pathways

No target-pathway data for this drug (no mapped target genes).

Indications & clinical

Indications

0 indications (0 at ChEMBL trial phase 4).

Clinical trials

Total trials: 0.

Clinical evidence (CIViC)

No CIViC predictive evidence (expected for non-precision-medicine drugs).

Pharmacology

Pharmacogenomics

No PharmGKB pharmacogenomic data curated for this drug.

Related molecules

Related molecules

No competitor molecules sharing a primary target (ChEMBL phase ≥2 or PubChem drug-class).