4052-13-5
4052-13-5
Chemical Structure
Cloperidone
- CAS No.: 4052-13-5
- Formula:C21H23ClN4O2
- Molecular Weight:398.89
InChIKey: FXZJKVODWNYPKK-UHFFFAOYSA-N
SMILES: O=C1NC2=C(C(N1CCCN3CCN(CC3)C4=CC(Cl)=CC=C4)=O)C=CC=C2
Biological Activity: Cloperidone acts as an inhibitor and substrate of CYP2C9, with an IC50 of 17.7 μM. Cloperidone exhibits enhanced cytotoxicity in cells expressing CYP2C9. It can be used in the research of sedative/hypnotic-related diseases[1][2].
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Cloperidone | Cloperidone acts as an inhibitor and substrate of CYP2C9, with an IC50 of 17.7 μM. Cloperidone exhibits enhanced cytotoxicity in cells expressing CYP2C9. It can be used in the research of sedative/hypnotic-related diseases. | |||||||||||||||||||||
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References
- [1]. Goldwaser E, et al. Machine learning-driven identification of drugs inhibiting cytochrome P450 2C9. PLoS Comput Biol. 2022 Jan 26;18(1):e1009820. [Content Brief]
- [2]. Estrada E, et al. Designing sedative/hypnotic compounds from a novel substructural graph-theoretical approach. Journal of computer-aided molecular design. 1998 Nov;12(6):583-95. [Content Brief]
Keywords
