Crisaborole (CED0008641)

Record Information

Version

1.0

Creation Date

2026-04-14 15:36:09 UTC

Update Date

2026-08-19 03:50:24 UTC

SynCED ID

CED0008641

Secondary Accession Numbers

CHEM129238

Identification

Common Name

Crisaborole

Class

Small Molecule

Description

Crisaborole is an organic compound with the formula C14H10BNO3 and an average molecular weight of 251.05 g/mol. Crisaborole belongs to the ethers, a subclass of organooxygen compounds within the organic compounds. This compound is found in or released from healthcare, pharmaceuticals, and veterinary products, specifically dermatological preparations, with a recorded topical exposure route. In terms of biological activity, crisaborole acts as an inhibitor of four protein targets: 3',5'-cyclic-AMP phosphodiesterase 4A (PDE4A), 3',5'-cyclic-AMP phosphodiesterase 4B (PDE4B), 3',5'-cyclic-AMP phosphodiesterase 4C (PDE4C), and 3',5'-cyclic-AMP phosphodiesterase 4D (PDE4D).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₄H₁₀BNO₃

Average Molecular Mass

251.050 g/mol

Monoisotopic Mass

251.075 g/mol

CAS Registry Number

906673-24-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

OB1OCC2=C1C=CC(OC1=CC=C(C=C1)C#N)=C2

InChI Identifier

InChI=1S/C14H10BNO3/c16-8-10-1-3-12(4-2-10)19-13-5-6-14-11(7-13)9-18-15(14)17/h1-7,17H,9H2

InChI Key

USZAGAREISWJDP-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

phosphodiesterase IV inhibitor (PMC8212710 , PMC11344695 )?

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0ff3-4490000000-b16a32ba3f8ffa56958d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0090000000-c992aa0eb9fb61547ff1	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-0190000000-b7b5a584e10753f579b2	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-3920000000-5e290d457c318e8c34f8	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0090000000-4cd267021a18358a87ca	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-0190000000-ba9fb218e3acf7637f47	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-3920000000-de73f2fd5def4cacd2eb	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference
atopic dermatitis	Not Available	Not Available	Not Available	PMC8212710 , PMC12735847
dermatitis	Not Available	Not Available	Not Available	PMC6405328

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000010	Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.	Agriculture & land management	PubChem
CEDs000315	Dermatological preparations?Dermatological preparations encompass a wide range of topical products, including creams, ointments, gels, and lotions, designed for the treatment of skin conditions.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000518	Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.	Electrical & Electronic Equipment	PubChem
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	PubChem
CEDs000559	Non Electric Simulated Smoking Devices?Non-electric simulated smoking devices, often designed to mimic the experience of smoking without combustion, can be sources of synthetic chemical contamination due to the materials and chemicals used in their construction and operation.	Household cleaning & consumer products	PubChem
CEDs000596	Acaricides?Acaricides are synthetic chemicals specifically designed to target and control mite populations that can damage crops and plants.	Agriculture & land management	PubChem
CEDs000610	Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.	Personal care & cosmetics	PubChem
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	Personal care & cosmetics	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs01101	Ointment	Healthcare, pharmaceuticals & veterinary products	PMC5871372

Pathways

2 pathwaysPathway Source: PathBank

Crisaborole Drug Metabolism

Crisaborole Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Leucine--tRNA ligase, cytoplasmic	P26637	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.476 Applicability Domain 0.476 Statistical Significance 2.00e-05 Supporting Reference Compounds 1 E-value 0.155698
Click to view 3D structure	Interleukin-18	Q14116	Humans	Predicted (SEA)	Prediction Confidence Score 0.391 Applicability Domain 0.391 Statistical Significance 2.00e-04 Supporting Reference Compounds 1 E-value 1.55698
Click to view 3D structure	3',5'-cyclic-AMP phosphodiesterase 4B	Q07343	Humans	Predicted (SEA)	Prediction Confidence Score 0.375 Applicability Domain 1.0 Statistical Significance 0.0012 Supporting Reference Compounds 121 E-value 9.49761
Click to view 3D structure	3',5'-cyclic-AMP phosphodiesterase 4A	P27815	Humans	Predicted (SEA)	Prediction Confidence Score 0.365 Applicability Domain 1.0 Statistical Significance 0.0012 Supporting Reference Compounds 80 E-value 9.6533
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.314 Applicability Domain 0.476 Statistical Significance 0.0335 Supporting Reference Compounds 472 E-value 260.873
Click to view 3D structure	Beta-lactamase	Q93LQ9	Klebsiella pneumoniae	Predicted (SEA)	Prediction Confidence Score 0.312 Applicability Domain 1.0 Statistical Significance 1.50e-04 Supporting Reference Compounds 4 E-value 1.16774
Click to view 3D structure	3',5'-cyclic-AMP phosphodiesterase 4D	Q08499	Humans	Predicted (SEA)	Prediction Confidence Score 0.301 Applicability Domain 1.0 Statistical Significance 0.0074 Supporting Reference Compounds 170 E-value 57.297
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.297 Applicability Domain 0.476 Statistical Significance 0.0414 Supporting Reference Compounds 407 E-value 322.685
Click to view 3D structure	3',5'-cyclic-AMP phosphodiesterase 4C	Q08493	Humans	Predicted (SEA)	Prediction Confidence Score 0.291 Applicability Domain 1.0 Statistical Significance 0.0016 Supporting Reference Compounds 36 E-value 12.2223
Click to view 3D structure	High affinity 3',5'-cyclic-AMP phosphodiesterase 7A	Q13946	Humans	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 1.0 Statistical Significance 0.004 Supporting Reference Compounds 87 E-value 31.0618
Click to view 3D structure	Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A	P54750	Humans	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 1.0 Statistical Significance 0.0015 Supporting Reference Compounds 46 E-value 11.7552
Click to view 3D structure	Carbonic anhydrase 2	Q3I4V7	Cryptococcus neoformans	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.476 Statistical Significance 0.0112 Supporting Reference Compounds 60 E-value 87.1133
Click to view 3D structure	Carbonic anhydrase	Q6FTL6	Candida glabrata CBS 138	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.476 Statistical Significance 0.0119 Supporting Reference Compounds 46 E-value 92.4849
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.323 Statistical Significance 0.3513 Supporting Reference Compounds 1498 E-value 2735.23
Click to view 3D structure	Kynurenine--oxoglutarate transaminase 1	Q16773	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.254 Low confidence Statistical Significance 0.0023 Supporting Reference Compounds 1 E-value 17.9053
Click to view 3D structure	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3	Q16875	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.265 Low confidence Statistical Significance 0.0017 Supporting Reference Compounds 13 E-value 13.0008
Click to view 3D structure	Histamine H3 receptor	Q9QYN8	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.278 Low confidence Statistical Significance 0.0328 Supporting Reference Compounds 80 E-value 255.345
Click to view 3D structure	Histamine H3 receptor	Q9Y5N1	Humans	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.278 Low confidence Statistical Significance 0.1242 Supporting Reference Compounds 294 E-value 966.965
Click to view 3D structure	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 2	O60825	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.265 Low confidence Statistical Significance 0.0015 Supporting Reference Compounds 4 E-value 12.0666
Click to view 3D structure	Histamine H1 receptor	P35367	Humans	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.278 Low confidence Statistical Significance 0.3271 Supporting Reference Compounds 507 E-value 2546.14
Click to view 3D structure	Sodium channel protein type 7 subunit alpha	Q01118	Humans	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.323 Statistical Significance 0.0286 Supporting Reference Compounds 27 E-value 223.038
Click to view 3D structure	RAC-alpha serine/threonine-protein kinase	P31749	Humans	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.27 Low confidence Statistical Significance 0.4984 Supporting Reference Compounds 797 E-value 3880.32
Click to view 3D structure	Arsenite methyltransferase	Q9HBK9	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.265 Low confidence Statistical Significance 0.0016 Supporting Reference Compounds 5 E-value 12.378
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	Prediction Confidence Score 0.228 Applicability Domain 0.254 Low confidence Statistical Significance 0.2602 Supporting Reference Compounds 315 E-value 2025.33
Click to view 3D structure	Amine oxidase [flavin-containing] B	P19643	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.228 Applicability Domain 0.254 Low confidence Statistical Significance 0.0768 Supporting Reference Compounds 77 E-value 597.648