Molecule

Phidianidine A; Debromo

AlkaPlorer ID: AK107685

Synonym: Phidianidine B

IUPAC Name: 2-[5-[[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]amino]pentyl]guanidine

Structure

SMILES: N=C(N)NCCCCCNC1=NOC(CC2=CNC3=CC=CC=C23)=N1

InChI: InChI=1S/C17H23N7O/c18-16(19)20-8-4-1-5-9-21-17-23-15(25-24-17)10-12-11-22-14-7-3-2-6-13(12)14/h2-3,6-7,11,22H,1,4-5,8-10H2,(H,21,24)(H4,18,19,20)

InChIKey: DDXQZNQMFITAGA-UHFFFAOYSA-N

Reference

Species‐Metabolite Relation Database<scp>KNAp</scp><scp>SAc</scp><scp>K</scp>and Its Multifaceted Retrieval System,<scp>KNAp</scp><scp>SAc</scp><scp>K</scp>Family

E. Teuscher und U. Lindequist: Biogene Gifte. Biologie — Chemie — Pharmakologie. 595 Seiten, 178 Abb., 57 Tab. Akademie‐Verlag, Berlin 1988. Preis: 85,— M.

PubChem CID: 60150771

COCONUT: CNP0244422

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Phidiana militaris	Phidiana	Glaucidae	Nudibranchia	Gastropoda	Mollusca	Metazoa	Eukaryota

Properties Information

Molecule Weight: 341.4190000000001

TPSA？: 128.64

MolLogP？: 2.206969999999999

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	96.0	%	10.1021/acs.jnatprod.7b00575
Homo sapiens	Mu opioid receptor	Inhibition	97.0	%	10.1021/acs.jnatprod.7b00575
Homo sapiens	Norepinephrine transporter	Inhibition	45.0	%	10.1021/acs.jnatprod.7b00575
Homo sapiens	Serotonin transporter	Inhibition	16.0	%	10.1021/acs.jnatprod.7b00575