Name: PRMT5-IN-1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212666580
Cas No:2366149-83-7
常用名:PRMT5-IN-1
IUPAC:(2R,3S,4R,5R)-2-[(R)-(4-chlorophenyl)(hydroxy)methyl]-5-{5-hydroxy-3,6,8,10-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,7,11-tetraen-10-yl}oxolane-3,4-diol
IUPAC:(2R,3S,4R,5R)-2-[(R)-(4-chlorophenyl)(hydroxy)methyl]-5-{5-hydroxy-3,6,8,10-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,7,11-tetraen-10-yl}oxolane-3,4-diol
InChI key:LTPABOINPMWTKU-BHUSIORFSA-N

分子式:C19H19ClN4O5
分子量:418.83
氢键供体数 (HBD):4
氢键受体数 (HBA):8
LogP:0.92348206
SMILES:O[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2C3=NCC(O)N3C=Nc12)c1ccc(Cl)cc1 |c:21,t:14|
SMILES:O[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2C3=NCC(O)N3C=Nc12)c1ccc(Cl)cc1 |c:21,t:14|

PRMT5-IN-1 is a covalent inhibitor of protein arginine methyltransferase 5 (PRMT5)(IC50 of 11 nM for PRMT5/MEP50).

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