HT-0712

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: 2O43FXG9IG

Structure
InChI Key ABEJDMOBAFLQNJ-NHCUHLMSSA-N
Smile COc1ccc([C@H]2CNC(=O)[C@H](Cc3cccc(C)c3)C2)cc1OC1CCCC1
InChI
InChI=1S/C25H31NO3/c1-17-6-5-7-18(12-17)13-20-14-21(16-26-25(20)27)19-10-11-23(28-2)24(15-19)29-22-8-3-4-9-22/h5-7,10-12,15,20-22H,3-4,8-9,13-14,16H2,1-2H3,(H,26,27)/t20-,21-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H31NO3
Molecular Weight 393.53
AlogP 4.79
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 47.56
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Phosphodiesterase 4 inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Phosphodiesterase Phosphodiesterase 4 Phosphodiesterase 4D
- 150 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Memory Disorders 2 D008569 ClinicalTrials
Rhinitis, Allergic, Seasonal 2 D006255 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297287
DrugBank DB11650
EPA CompTox DTXSID70893926
FDA SRS 2O43FXG9IG
SureChEMBL SCHEMBL153385
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