Details
Stereochemistry | ACHIRAL |
Molecular Formula | C21H19ClN2O2 |
Molecular Weight | 366.841 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=C(C=C(CC2=CC=C(NC(N)=O)C=C2)C=C1)C3=CC=CC(Cl)=C3
InChI
InChIKey=RJJLUTWHJUDZFP-UHFFFAOYSA-N
InChI=1S/C21H19ClN2O2/c1-26-20-10-7-15(12-19(20)16-3-2-4-17(22)13-16)11-14-5-8-18(9-6-14)24-21(23)25/h2-10,12-13H,11H2,1H3,(H3,23,24,25)
Molecular Formula | C21H19ClN2O2 |
Molecular Weight | 366.841 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/20037581
Sources: https://www.ncbi.nlm.nih.gov/pubmed/20037581
4LSC379 (D159687) is a small-molecule allosteric modulators of PDE4D that do not completely inhibit enzymatic activity. It has reduced potential to cause emesis, while maintaining biological activity in cellular and in vivo models.
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
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Target ID: CHEMBL288 Sources: https://www.ncbi.nlm.nih.gov/pubmed/20037581 |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
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Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/20037581
For day 1 and day 28 of a 28-d repeat dose study at 100 mg/kg (N = 4 per dose) by powder in capsule (PIC). Emesis was not observed in any animal.
D159687 was emetic at 600 mg/kg in a single-dose range finding study. Like mouse, dog has the nonprimate Tyr196 amino acid polymorphism in PDE4D. One male and one female monkey were dosed intravenously (IV) with D159687 at 1 mg/kg or orally by gavage (POG) for 5 d at 10 mg/kg in 0.5% HPMC (hydroxypropyl methylcellulose), 0.5% poloxamer 188, 0.4% Tween 80. Emesis was not observed in either monkey. D159687 was emetic at 30 mg/kg in a single-dose range finding study.
Route of Administration:
Other
Substance Class |
Chemical
Created
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Edited
Mon Mar 31 22:44:24 GMT 2025
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Record UNII |
4T436CO8BT
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Record Status |
Validated (UNII)
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Record Version |
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