Structure

InChI Key LOVMMUBRQUFEAH-UIEAZXIASA-N
Smile O=C(CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1)OCCCCO[N+](=O)[O-]
InChI
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H41NO8
Molecular Weight 507.62
AlogP 3.77
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 18.0
Polar Surface Area 139.36
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 36.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Prostanoid FP receptor agonist PubMed PubMed Other

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Ocular Hypertension 4 D009798 ClinicalTrials

Related Entries

MCS

Scaffolds

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Eye disorders
32.96
General disorders and administration site conditions
15.77
Nervous system disorders
10.42
Skin and subcutaneous tissue disorders
7.32
Cardiac disorders
4.79
Respiratory, thoracic and mediastinal disorders
4.51
Vascular disorders
4.51
Injury, poisoning and procedural complications
4.23
Investigations
4.23
Gastrointestinal disorders
3.1
Immune system disorders
2.25

Cross References

Resources Reference
CAS NUMBER 860005-21-6
ChEMBL CHEMBL2364612
DrugBank DB11660
DrugCentral 5261
FDA SRS I6393O0922
Guide to Pharmacology 9635
PubChem 11156438
SureChEMBL SCHEMBL12119560
ZINC ZINC000095598449