Submission Details

ALE-SYG-bac15da4
Molecule(s):
CN1CCN(C(=O)C2C[C@@H]3CC[C@H](C2)N3C(=O)CCl)CC1

ALE-SYG-bac15da4-1

CN1CCN(C(=O)C2C[C@@H]3CC[C@H](C2)N3C(=O)CCl)CC1

CN1CCN(C(=O)c2ccc3c(c2)CCN(C(=O)CCl)C3)CC1

ALE-SYG-bac15da4-2

CN1CCN(C(=O)c2ccc3c(c2)CCN(C(=O)CCl)C3)CC1

Design Rationale:

Try to increase lipophilicity of the central core of (e.g. 1380) while growing molecule to reach new pockets. Potential interaction of N-methylpiperazine with Asp187

Inspired By:
Discussion:

Contributor: Alessio De Simone, Sygnature Discovery - Tue, 16 Jun 2020 03:43:41 +0000