6-bromo-1-methyl-9H-pyrido[3,4-b]indole
AlkaPlorer ID: AK029853
Synonym: 'MLS000574962', '6-Bromoharman', 'SMR001215941'
IUPAC Name: 6-bromo-1-methyl-9H-pyrido[3,4-b]indole
Structure
SMILES: CC1=NC=CC2=C1NC1=CC=C(Br)C=C12
InChI: InChI=1S/C12H9BrN2/c1-7-12-9(4-5-14-7)10-6-8(13)2-3-11(10)15-12/h2-6,15H,1H3
InChIKey: MGPZBLVKGVLQIV-UHFFFAOYSA-N
Reference
Brominaed β-carbolines from the marine hydroid aglaophenia pluma linnaeus
PubChem CID: 5380465
CAS: 18813-71-3
LOTUS: LTS0247475
COCONUT: CNP0307270
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aglaophenia pluma | Aglaophenia | Aglaopheniidae | Leptothecata | Hydrozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 261.122
TPSA？: 28.68
MolLogP？: 3.787020000000002
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Alternaria solani | Alternaria solani | Activity | 73.7 | % | 10.1016/j.ejmech.2021.114057 |
| Bipolaris maydis | Bipolaris maydis | Activity | 86.4 | % | 10.1016/j.ejmech.2021.114057 |
| Homo sapiens | Flap endonuclease 1 | Potency | 28183.8 | nM | None |
| Homo sapiens | Glucagon-like peptide 1 receptor | Potency | 14125.4 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 22387.2 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 23109.3 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 29092.9 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 18526.0 | nM | None |
| None | Unchecked | Potency | 3981.1 | nM | None |
| None | Unchecked | Potency | 10000.0 | nM | None |
| None | Unchecked | Potency | 12589.3 | nM | None |
| None | Unchecked | Potency | 23109.3 | nM | None |
| None | Unchecked | Potency | 28183.8 | nM | None |