Submission Details
Molecule(s):
O=C(CCl)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
GIA-UNK-7337c2f3-2
Duplicate of:
DAR-DIA-3e9bbd81-12
O=C(CCl)N1CCN(C(c2ccccc2)c2cccc(Cl)c2)CC1
O=C(CCl)N1CCN(C(c2ccccc2)c2ccccc2Cl)CC1
O=C(CCl)N1CCN(C(c2ccccc2)c2ccc(F)cc2)CC1
O=C(CCl)N1CCN(C(c2ccccc2)c2cccc(F)c2)CC1
O=C(CCl)N1CCN(C(c2ccccc2)c2ccccc2F)CC1
Cc1ccc(C(c2ccccc2)N2CCN(C(=O)CCl)CC2)cc1
Cc1cccc(C(c2ccccc2)N2CCN(C(=O)CCl)CC2)c1
Cc1ccccc1C(c1ccccc1)N1CCN(C(=O)CCl)CC1
O=C(CCl)N1CCN(C(c2ccccc2)c2ccc(-c3ccccc3)cc2)CC1
O=C(CCl)N1CCN(C(c2ccccc2)c2cccc(-c3ccccc3)c2)CC1
O=C(CCl)N1CCN(C(c2ccccc2)c2ccc(C(F)(F)F)cc2)CC1
O=C(CCl)N1CCN(C(c2ccccc2)c2cccc(C(F)(F)F)c2)CC1
O=C(CCl)N1CCN(C(c2ccccc2)c2cc(-c3ccccc3)on2)CC1
O=C(CCl)N1CCN(C(c2ccccc2)c2ccc3ccccc3c2)CC1
Design Rationale:
Elongation of side chain in order to be better fitted into a supposed hydrophobic subpocket, as observed by activity of derivatives SIM-SYN-f15aaa3a-1 and GIA-UNK-20b63697-6. As observed, hydrophilic substitution, as GIA-UNK-20b63697-2, causes drop of biological activity. Small and larger hydrophobic substituents, in various orientation, are provided.
Other Notes:
Same synthesis of GIA-UNK-20b63697-6. The phenylisoxazole derivative could be synthesized from acetophenone.