Submission Details
Molecule(s):
CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12
TOM-OIS-cbf37265-2
Duplicate of:
LON-WEI-b8d98729-34
CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
Design Rationale:
Eletriptan (Relpax), naratrtriptan (Amerge) and sumatriptan (Imitrex) are a safe, approved anti-migraine medication, centrally active, eletriptan is dosed up to 80mg/day, naratriptan is dosed up to 5 mg/day and sumatriptan is dosed up to 100mg/single dose. They are widely available in tablet and in injection form. They have a good overlap with noncovalently bound fragments in the Site 1, and seems to map particularly well on fragment hits X0072_0 and X0104_0, and few others. These approved drugs would not need to be synthesized, and if they show any signs of activity, could be prescribed off-label