1-Benzylindole
AlkaPlorer ID: AK000078
Synonym: None
IUPAC Name: 1-benzylindole
Structure
SMILES: C1=CC=C(C=C1)CN2C=CC3=CC=CC=C32
InChI: InChI=1S/C15H13N/c1-2-6-13(7-3-1)12-16-11-10-14-8-4-5-9-15(14)16/h1-11H,12H2
InChIKey: NJZQOCCEDXRQJM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 207.276
TPSA？: 4.93
MolLogP？: 3.689600000000002
Number of H-Donors: 0
Number of H-Acceptors: 1
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Acinetobacter baumannii | Acinetobacter baumannii | Inhibition | 3.41 | % | 10.6019/CHEMBL4513135 |
| Candida albicans | Candida albicans | Inhibition | 4.28 | % | 10.6019/CHEMBL4513135 |
| Cryptococcus neoformans | Cryptococcus neoformans | Inhibition | -3.9 | % | 10.6019/CHEMBL4513135 |
| Escherichia coli | Escherichia coli | Inhibition | 11.73 | % | 10.6019/CHEMBL4513135 |
| Homo sapiens | NCI-H460 | IC50 | 31600.0 | nM | 10.1021/jm101417n |
| Klebsiella pneumoniae | Klebsiella pneumoniae | Inhibition | 13.32 | % | 10.6019/CHEMBL4513135 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Inhibition | 42.69 | % | 10.6019/CHEMBL4513135 |
| Staphylococcus aureus | Staphylococcus aureus | Inhibition | 7.36 | % | 10.6019/CHEMBL4513135 |
| None | ADMET | IC50 | 31600.0 | nM | 10.1021/jm101417n |
| None | NON-PROTEIN TARGET | IC50 | 31600.0 | nM | 10.1021/jm101417n |