AL-12182

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Synonyms
Status
Molecule Category Free-form

Structure

InChI Key SGNMBLPAWMQIHK-LYTYUWFYSA-N
Smiles CC(C)OC(=O)CCC/C=C\CC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1
InChI
InChI=1S/C25H35ClO6/c1-18(2)32-25(29)12-7-5-3-4-6-11-22-23(28)17-31-24(22)14-13-20(27)16-30-21-10-8-9-19(26)15-21/h3-4,8-10,13-15,18,20,22-24,27-28H,5-7,11-12,16-17H2,1-2H3/b4-3-,14-13+/t20-,22+,23+,24-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H35ClO6
Molecular Weight 467.0
AlogP 4.47
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 13.0
Polar Surface Area 85.22
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Prostanoid FP receptor agonist AGONIST PubMed

Target Conservation

Protein: Prostanoid FP receptor
Description: Prostaglandin F2-alpha receptor
Organism : Homo sapiens
P43088 ENSG00000122420

Cross References

Resources Reference
ChEMBL CHEMBL184999
ZINC ZINC000028368754
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