(4S)-5-[2-[(2S,3R)-1-[(2S)-1-[(2S,3R)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-6-amino-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S,3S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-6-amino-1-[(2S)-1-[2-[2-[(2S)-2-[N-[(2S)-1-[(2S)-1-[2-[(2S)-1-[(2S)-2-[(2S)-2-[N-[(2S)-1-[(2S)-6-amino-1-[(2S)-6-amino-1-[(2S)-6-amino-1-[(2S)-6-amino-1-[(2S)-6-amino-1-[(2S)-6-amino-1-hydroxy-1-iminohexan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1,3-dihydroxypropan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]imino-2-hydroxyethyl]imino-1,3-dihydroxypropan-2-yl]imino-1,3-dihydroxypropan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-2-oxoethyl]imino-2-hydroxyethyl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-4-carboxy-1-hydroxybutan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-5-carbamimidamido-1-hydroxypentan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxypropan-2-yl]imino-4-carboxy-1-hydroxybutan-2-yl]imino-4-carboxy-1-hydroxybutan-2-yl]imino-4-carboxy-1-hydroxybutan-2-yl]imino-1-hydroxy-4-methylsulfanylbutan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1,3-dihydroxybutan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,3-dihydroxybutan-2-yl]imino-2-hydroxyethyl]imino-4-[[2-[[(2S)-2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxyethylidene]amino]-5-hydroxypentanoic acid;vanadium

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: (4S)-5-[2-[(2S,3R)-1-[(2S)-1-[(2S,3R)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-6-amino-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S,3S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-6-amino-1-[(2S)-1-[2-[2-[(2S)-2-[N-[(2S)-1-[(2S)-1-[2-[(2S)-1-[(2S)-2-[(2S)-2-[N-[(2S)-1-[(2S)-6-amino-1-[(2S)-6-amino-1-[(2S)-6-amino-1-[(2S)-6-amino-1-[(2S)-6-amino-1-[(2S)-6-amino-1-hydroxy-1-iminohexan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1,3-dihydroxypropan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]imino-2-hydroxyethyl]imino-1,3-dihydroxypropan-2-yl]imino-1,3-dihydroxypropan-2-yl]-C-hydroxycarbonimidoyl]pyrrolidin-1-yl]-2-oxoethyl]imino-2-hydroxyethyl]imino-1,4-dihydroxy-4-iminobutan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-4-carboxy-1-hydroxybutan-2-yl]imino-1-hydroxy-3-methylpentan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-5-carbamimidamido-1-hydroxypentan-2-yl]imino-1-hydroxy-3-methylbutan-2-yl]imino-1-hydroxypropan-2-yl]imino-4-carboxy-1-hydroxybutan-2-yl]imino-4-carboxy-1-hydroxybutan-2-yl]imino-4-carboxy-1-hydroxybutan-2-yl]imino-1-hydroxy-4-methylsulfanylbutan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1-hydroxy-4-methylpentan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1,3-dihydroxypropan-2-yl]imino-1,3-dihydroxybutan-2-yl]imino-1-hydroxy-3-phenylpropan-2-yl]imino-1,3-dihydroxybutan-2-yl]imino-2-hydroxyethyl]imino-4-[[2-[[(2S)-2-amino-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxyethylidene]amino]-5-hydroxypentanoic acid;vanadium
• 化学式: C215H347N61O65SV
• 分子量: 4909.0
• InChiKey: FIEORIYJJYKFHN-UDBQHKEXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.85
• 重原子数：
  343
• 可旋转键数：
  170
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  2230
• 氢给体数：
  73
• 氢受体数：
  120

ADMET

代谢

假定会经历蛋白质降解。

Assumed to undergo proteolytic degradation.

来源:DrugBank

毒理性

• 毒性总结

甲状腺C细胞腺瘤在大鼠接触超过人类每日20微克暴露量15倍时发生。过量与GLP-1受体激动剂典型的胃肠道副作用有关。

Thyroid C-cell adenomas occurred in rats when exposed to >15 times human exposure of 20mcg/day. Overdose is associated with GI side effects typical of GLP-1 receptor agonists.

来源:DrugBank

毒理性

• 蛋白质结合

55%与血浆蛋白结合。

55% bound to plasma proteins.

来源:DrugBank

吸收、分配和排泄

• 吸收

当皮下给药时，tmax为1-3.5小时。

tmax of 1-3.5h when administered subcutaneously.

来源:DrugBank

吸收、分配和排泄

• 消除途径

假定是蛋白质降解并经尿液排出。

Assumed to be proteolytic degradation and excretion in urine.

来源:DrugBank

吸收、分配和排泄

• 分布容积

100升

100L

来源:DrugBank

吸收、分配和排泄

• 清除

35升/小时

35L/h

来源:DrugBank