Name: Ned 19
Rating: 5 (10 reviews)

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HIT ID:HIT101387156
Cas No:874374-25-1
常用名:Ned 19
IUPAC:1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid
IUPAC:1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid
InChI key:FUHCEERDBRGPQZ-UHFFFAOYSA-N

分子式:C30H31FN4O3
分子量:514.601
氢键供体数 (HBD):3
氢键受体数 (HBA):3
LogP:2.326
SMILES:COc1ccc(cc1CN1CCN(CC1)c1ccccc1F)C1NC(Cc2c1[nH]c1ccccc21)C(O)=O
SMILES:COc1ccc(cc1CN1CCN(CC1)c1ccccc1F)C1NC(Cc2c1[nH]c1ccccc21)C(O)=O

Ned 19, a selective membrane-permeant non-competitive antagonist of NAADP, strongly inhibits tumor growth, vascularization, and lung metastases in mice.

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