AL-12182

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN

Structure
InChI Key SGNMBLPAWMQIHK-LYTYUWFYSA-N
Smile 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

Action Mechanism of Action Reference
AGONIST Prostanoid FP receptor agonist PubMed

Cross References

Resources Reference
ChEMBL CHEMBL184999
ZINC ZINC000028368754
CONTENTS