3-(5-bromo-1H-indol-3-yl)-2-(dimethylamino)propanoic acid
AlkaPlorer ID: AK070375
Synonym: None
IUPAC Name: (2S)-3-(5-bromo-1H-indol-3-yl)-2-(dimethylamino)propanoic acid
Structure
SMILES: CN(C)[C@@H](CC1=CNC2=CC=C(Br)C=C12)C(=O)O
InChI: InChI=1S/C13H15BrN2O2/c1-16(2)12(13(17)18)5-8-7-15-11-4-3-9(14)6-10(8)11/h3-4,6-7,12,15H,5H2,1-2H3,(H,17,18)/t12-/m0/s1
InChIKey: UBAMMGHQGXPKOD-LBPRGKRZSA-N
Reference
Discovery of indolotryptoline antiproliferative agents by homology-guided metagenomic screening
PubChem CID: 11616565
NPASS: NPC179701
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Smenospongia | Thorectidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Thorectandra | Thorectidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 311.1790000000001
TPSA？: 56.33
MolLogP？: 2.4877
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Staphylococcus epidermidis | Staphylococcus epidermidis | MIC | 25.0 | ug.mL-1 | 10.1021/np0501334 |