Latanoprostene Bunod (CED0012937)

Record Information

Version

1.0

Creation Date

2026-04-05 13:52:57 UTC

Update Date

2026-08-22 07:47:00 UTC

SynCED ID

CED0012937

Secondary Accession Numbers

CHEM103344

Identification

Common Name

Latanoprostene Bunod

Class

Small Molecule

Description

Latanoprostene Bunod (C27H41NO8) belongs to the eicosanoids, a subclass of fatty acyls within the organic compounds. With an average molecular weight of 507.62 g/mol, Latanoprostene Bunod is a heavy molecule. It acts as an agonist of the prostaglandin F2-alpha receptor (PTGFR). This compound is found in healthcare, pharmaceuticals, and veterinary products, specifically within antiglaucoma preparations and miotics. The recorded exposure route for this substance is ophthalmic.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₇H₄₁NO₈

Average Molecular Mass

507.624 g/mol

Monoisotopic Mass

507.283 g/mol

CAS Registry Number

860005-21-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

O[C@H](CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OCCCCO[N+]([O-])=O)CCC1=CC=CC=C1

InChI Identifier

InChI=1S/C27H41NO8/c29-22(15-14-21-10-4-3-5-11-21)16-17-24-23(25(30)20-26(24)31)12-6-1-2-7-13-27(32)35-18-8-9-19-36-28(33)34/h1,3-6,10-11,22-26,29-31H,2,7-9,12-20H2/b6-1-/t22-,23+,24+,25-,26+/m0/s1

InChI Key

LOVMMUBRQUFEAH-UIEAZXIASA-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

Not Available

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 LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0pb9-0000190000-1885d479580f894c29cb	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0f89-1300940000-4d6dff4bd1e8dd1719e0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-5922400000-d04ea49c92aa6a9485d4	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0100090000-ffbf0b0d9c934207c9c4	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0pb9-2400090000-70d37928a6436bc281dc	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-05o3-9601000000-607d16cb4e20748ea4ff	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
3727.0 Log mg/kg [2100:6600]	Rat	LD50	oral	predicted	Not Available	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	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000398	Antiglaucoma preparations and miotics?Antiglaucoma preparations and miotics are pharmacological agents utilized to manage intraocular pressure in patients with glaucoma.	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	Not Available
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	Not Available
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	Not Available

Pathways

2 pathwaysPathway Source: PathBank

Latanoprostene bunod Drug Metabolism Action Pathway

Latanoprostene bunod Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Solute carrier organic anion transporter family member 2A1	Q92959	Humans	Predicted (SEA)	Prediction Confidence Score 0.496 Applicability Domain 0.686 Statistical Significance 2.00e-05 Supporting Reference Compounds 4 E-value 0.155698
Click to view 3D structure	Prostaglandin F2-alpha receptor	P37289	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.444 Applicability Domain 0.682 Statistical Significance 6.00e-05 Supporting Reference Compounds 6 E-value 0.467095
Click to view 3D structure	Prostaglandin F2-alpha receptor	P43117	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.368 Applicability Domain 0.682 Statistical Significance 1.40e-04 Supporting Reference Compounds 10 E-value 1.08989
Click to view 3D structure	Prostaglandin F2-alpha receptor	P43088	Humans	Predicted (SEA)	Prediction Confidence Score 0.363 Applicability Domain 0.418 Statistical Significance 8.10e-04 Supporting Reference Compounds 50 E-value 6.30579
Click to view 3D structure	Thromboxane A2 receptor	P21731	Humans	Predicted (SEA)	Prediction Confidence Score 0.36 Applicability Domain 0.418 Statistical Significance 0.0014 Supporting Reference Compounds 96 E-value 10.6653
Click to view 3D structure	Prostaglandin E2 receptor EP3 subtype	P43115	Humans	Predicted (SEA)	Prediction Confidence Score 0.338 Applicability Domain 0.418 Statistical Significance 0.0022 Supporting Reference Compounds 102 E-value 17.5161
Click to view 3D structure	Prostaglandin E2 receptor EP1 subtype	P34995	Humans	Predicted (SEA)	Prediction Confidence Score 0.334 Applicability Domain 0.418 Statistical Significance 0.0022 Supporting Reference Compounds 78 E-value 16.9711
Click to view 3D structure	Prostaglandin E2 receptor EP2 subtype	P43116	Humans	Predicted (SEA)	Prediction Confidence Score 0.311 Applicability Domain 0.354 Statistical Significance 0.0028 Supporting Reference Compounds 95 E-value 21.7199
Click to view 3D structure	Prostaglandin D2 receptor	Q13258	Humans	Predicted (SEA)	Prediction Confidence Score 0.311 Applicability Domain 0.354 Statistical Significance 0.0026 Supporting Reference Compounds 81 E-value 20.2408
Click to view 3D structure	Solute carrier organic anion transporter family member 2A1	Q9EPT5	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.308 Applicability Domain 0.329 Statistical Significance 3.40e-04 Supporting Reference Compounds 2 E-value 2.64687
Click to view 3D structure	Prostacyclin receptor	P43119	Humans	Predicted (SEA)	Prediction Confidence Score 0.306 Applicability Domain 0.354 Statistical Significance 0.0019 Supporting Reference Compounds 63 E-value 15.1806
Click to view 3D structure	Prostaglandin E2 receptor EP4 subtype	P35408	Humans	Predicted (SEA)	Prediction Confidence Score 0.298 Applicability Domain 0.354 Statistical Significance 0.0045 Supporting Reference Compounds 92 E-value 35.1878
Click to view 3D structure	Solute carrier organic anion transporter family member 2B1	Q9JHI3	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.329 Statistical Significance 6.10e-04 Supporting Reference Compounds 2 E-value 4.7488
Click to view 3D structure	Prostaglandin E2 receptor EP3 subtype	P30557	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.258 Low confidence Statistical Significance 0.0124 Supporting Reference Compounds 32 E-value 96.6887
Click to view 3D structure	Prostaglandin E2 receptor EP4 subtype	P32240	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.258 Low confidence Statistical Significance 0.0135 Supporting Reference Compounds 29 E-value 105.408
Click to view 3D structure	Prostaglandin E2 receptor EP1 subtype	P35375	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.258 Low confidence Statistical Significance 0.0106 Supporting Reference Compounds 24 E-value 82.598
Click to view 3D structure	Prostaglandin E2 receptor EP2 subtype	Q62053	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.258 Low confidence Statistical Significance 0.0081 Supporting Reference Compounds 25 E-value 63.3693
Click to view 3D structure	Prostaglandin E2 receptor EP4 subtype	P43114	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.27 Low confidence Statistical Significance 0.003 Supporting Reference Compounds 16 E-value 23.0434
Click to view 3D structure	Mitofusin-2	O95140	Humans	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.241 Low confidence Statistical Significance 0.0078 Supporting Reference Compounds 1 E-value 60.411
Click to view 3D structure	Prostaglandin E2 receptor EP2 subtype	Q62928	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.27 Low confidence Statistical Significance 0.0016 Supporting Reference Compounds 12 E-value 12.1445
Click to view 3D structure	Probable G-protein coupled receptor 34	Q9UPC5	Humans	Predicted (SEA)	Prediction Confidence Score 0.235 Applicability Domain 0.24 Low confidence Statistical Significance 0.0063 Supporting Reference Compounds 11 E-value 49.1229
Click to view 3D structure	Probable G-protein coupled receptor 34	Q9R1K6	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.24 Low confidence Statistical Significance 0.0033 Supporting Reference Compounds 8 E-value 25.6124
Click to view 3D structure	Histone deacetylase 2	Q92769	Humans	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.263 Low confidence Statistical Significance 0.2741 Supporting Reference Compounds 307 E-value 2134.16
Click to view 3D structure	Putative P2Y purinoceptor 10	O00398	Humans	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.24 Low confidence Statistical Significance 0.0027 Supporting Reference Compounds 10 E-value 20.9414
Click to view 3D structure	Putative P2Y purinoceptor 10	Q8BFU7	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.236 Low confidence Statistical Significance 0.0027 Supporting Reference Compounds 8 E-value 20.8636