Compound ID | 2250

Update compound information

NAT13-338148

Synonym(s): NAT18-355531  |  NAT18-355768

Class: Small molecule antibacterial agent

Spectrum of activity: Gram-positive
Details of activity: Active against Clostridium difficile
Description: Synthetic compound from the AnalytiCon NATx library/ natural product inspired small molecules or natural product derived synthetic compounds; non-cytotoxic to human colorectal adenocarcinoma cell line (Caco-2 cells)
Year first mentioned: 2021
Development status: Experimental
Chemical structure(s):
Click here for structure editor
Molecular weight: 437.58
Iso. SMILES: CN1C([C@@H]2[C@@H]3C[C@H](CNCC4=NC=CC=C4)N(CC3)C2)=CC(=N1)C=5C=CC6=C(C5)C=CC=C6
InChI Key: ZTLKEYROLSIJBC-DFCKQENNSA-N
Can. SMILES: CN1C(=CC(=N1)C2=CC3=C(C=CC=C3)C=C2)[C@H]4CN5CC[C@H]4C[C@@H]5CNCC6=NC=CC=C6
InChI: InChI=1S/C28H31N5/c1-32-28(16-27(31-32)23-10-9-20-6-2-3-7-21(20)14-23)26-19-33-13-11-22(26)15-25(33)18-29-17-24-8-4-5-12-30-24/h2-10,12,14,16,22,25-26,29H,11,13,15,17-19H2,1H3/t22-,25+,26-/m0/s1
External links:
Citations:
  • https://ac-discovery.com/screening-libraries/
  • https://www.nature.com/articles/s41598-021-90314-3#Sec7

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