Phidianidine A
AlkaPlorer ID: AK107680
Synonym: None
IUPAC Name: 2-[5-[[5-[(6-bromo-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-3-yl]amino]pentyl]guanidine
Structure
SMILES: N=C(N)NCCCCCNC1=NOC(CC2=CNC3=CC(Br)=CC=C23)=N1
InChI: InChI=1S/C17H22BrN7O/c18-12-4-5-13-11(10-23-14(13)9-12)8-15-24-17(25-26-15)22-7-3-1-2-6-21-16(19)20/h4-5,9-10,23H,1-3,6-8H2,(H,22,25)(H4,19,20,21)
InChIKey: SSDJERJRAHRKGJ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phidiana militaris | Phidiana | Glaucidae | Nudibranchia | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 420.3150000000001
TPSA？: 128.64
MolLogP？: 2.969470000000001
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Dopamine transporter | Inhibition | 101.0 | % | 10.1021/acs.jnatprod.7b00575 |
| Homo sapiens | HeLa | IC50 | 1500.0 | nM | 10.1021/acs.jnatprod.7b00575 |
| Homo sapiens | Mu opioid receptor | Inhibition | 103.0 | % | 10.1021/acs.jnatprod.7b00575 |
| Homo sapiens | Norepinephrine transporter | Inhibition | 68.0 | % | 10.1021/acs.jnatprod.7b00575 |
| Homo sapiens | Serotonin transporter | Inhibition | 22.0 | % | 10.1021/acs.jnatprod.7b00575 |
| Mus musculus | 3T3-L1 | IC50 | 140.0 | nM | 10.1021/acs.jnatprod.7b00575 |
| Rattus norvegicus | C6 | IC50 | 1500.0 | nM | 10.1021/acs.jnatprod.7b00575 |
| Rattus norvegicus | C-X-C chemokine receptor type 4 | Inhibition | 50.0 | % | 10.1021/acs.jnatprod.7b00575 |
| Rattus norvegicus | C-X-C chemokine receptor type 4 | Inhibition | 100.0 | % | 10.1021/acs.jnatprod.7b00575 |