CID 5487301
AlkaPlorer ID: AK540225
Synonym: None
IUPAC Name: 1-[[5-(hydroxymethyl)-1H-indol-3-yl]methylideneamino]-2-pentylguanidine
Structure
SMILES: CCCCCNC(=N)NN/C=C1\C=NC2=CC=C(CO)C=C12
InChI: InChI=1S/C16H23N5O/c1-2-3-4-7-18-16(17)21-20-10-13-9-19-15-6-5-12(11-22)8-14(13)15/h5-6,8-10,20,22H,2-4,7,11H2,1H3,(H3,17,18,21)/b13-10+
InChIKey: URPUECXJHQGUDU-JLHYYAGUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Geodia barretti | Geodia | Geodiidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 301.3940000000001
TPSA？: 92.53000000000002
MolLogP？: 2.04447
Number of H-Donors: 5
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 5800.0 | nM | 10.1016/j.ejmech.2022.114842 |
| Homo sapiens | Protein arginine N-methyltransferase 5 | IC50 | 5800.0 | nM | 10.1016/j.ejmech.2022.114842 |