Name: GSK3004774
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212671334
Cas No:2138814-32-9
常用名:GSK3004774
IUPAC:1-[3-({4-[(3S)-3-{[(1R)-1-(naphthalen-1-yl)ethyl]amino}pyrrolidin-1-yl]phenyl}formamido)propyl]piperidine-4-carboxylic acid
IUPAC:1-[3-({4-[(3S)-3-{[(1R)-1-(naphthalen-1-yl)ethyl]amino}pyrrolidin-1-yl]phenyl}formamido)propyl]piperidine-4-carboxylic acid
InChI key:HBTVUVNVTSSIHP-KCWPFWIISA-N

分子式:C32H40N4O3
分子量:528.697
氢键供体数 (HBD):3
氢键受体数 (HBA):6
LogP:1.1160859
SMILES:C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)NCCCN1CCC(CC1)C(O)=O)c1cccc2ccccc12
SMILES:C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)NCCCN1CCC(CC1)C(O)=O)c1cccc2ccccc12

GSK3004774 is a nonabsorbable agonist of CaSR (pEC50: 7.3, 6.6, and 6.5 for human, mouse, and rat CaSR). GSK3004774 shows an EC50 of 50 nM for human CaSR.

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