Name: MDL-100240
Rating: 5 (10 reviews)

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HIT ID:HIT212693046
Cas No:142695-08-7
常用名:MDL-100240
IUPAC:(2R,6S,9S)-9-[(2S)-2-(acetylsulfanyl)-3-phenylpropanamido]-8-oxo-7-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),11,13-triene-6-carboxylic acid
IUPAC:(2R,6S,9S)-9-[(2S)-2-(acetylsulfanyl)-3-phenylpropanamido]-8-oxo-7-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),11,13-triene-6-carboxylic acid
InChI key:AIEZUMPHACQOGT-BJESRGMDSA-N

分子式:C26H28N2O5S
分子量:480.58
氢键供体数 (HBD):2
氢键受体数 (HBA):5
LogP:3.180435
SMILES:[H][C@]12CCC[C@H](N1C(=O)[C@H](Cc1ccccc21)NC(=O)[C@H](Cc1ccccc1)SC(C)=O)C(O)=O
SMILES:[H][C@]12CCC[C@H](N1C(=O)[C@H](Cc1ccccc21)NC(=O)[C@H](Cc1ccccc1)SC(C)=O)C(O)=O

MDL-100240 is a dual inhibitor of angiotensin-converting enzyme (ACE) and neprilysin with a balanced activity. MDL 100240 shows an impressive effectiveness both in preventing and in regressing hypertension-induced vascular remodeling and cardiac hypertrophy.

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