85511-68-8
85511-68-8
Chemical Structure
VU0238441
- CAS No.: 85511-68-8
- Formula:C16H9ClF3NO2
- Molecular Weight:339.70
IUPAC Name: 7-chloro-1-(4-(trifluoromethyl)benzyl)indoline-2,3-dione
InChIKey: MIAQTWNDRFRVOQ-UHFFFAOYSA-N
SMILES: O=C1N(CC2=CC=C(C(F)(F)F)C=C2)C3=C(C=CC=C3Cl)C1=O
Biological Activity: VU0238441 is a pan muscarinic acetylcholine receptor (mAChR) positive allosteric modulator (PAM) with EC50s of 3.2 μM, 2.8 μM, 2.2 μM, 2.1 μM, >10 μM for M1, M2, M3, M5 and M4, respectively[1][2].
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VU0238441 | 99.87% | VU0238441 is a pan muscarinic acetylcholine receptor (mAChR) positive allosteric modulator (PAM) with EC50s of 3.2 μM, 2.8 μM, 2.2 μM, 2.1 μM, >10 μM for M1, M2, M3, M5 and M4, respectively. | ||||||||||||||||||||
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Structural Analogs
-
Similarity Score 0.70
HY-18633MDK83190 -
Similarity Score 0.69
HY-114933VU0119498 -
Similarity Score 0.66
HY-123266D011-2120 -
Similarity Score 0.66
HY-W046786Benzylisatin -
Similarity Score 0.64
HY-146683KS106 -
Similarity Score 0.62
HY-117612KS-99 -
Similarity Score 0.62
HY-12157VU 0238429 -
Similarity Score 0.60
HY-162520DJ-1-IN-1 -
Similarity Score 0.58
HY-15707NS6180 -
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References
- [1]. Thomas M Bridges, et al. Chemical lead optimization of a pan G(q) mAChR M(1), M(3), M(5) positive allosteric modulator (PAM) lead. Part I: Development of the first highly selective M(5) PAM. Bioorg Med Chem Lett. 2010 Jan 15;20(2):558-62. [Content Brief]
- [2]. Thomas M Bridges, et al. Discovery of the first highly M5-preferring muscarinic acetylcholine receptor ligand, an M5 positive allosteric modulator derived from a series of 5-trifluoromethoxy N-benzyl isatins. J Med Chem. 2009 Jun 11;52(11):3445-8. [Content Brief]
