Molecule

Hymenidin

AlkaPlorer ID: AK321941

Synonym: None

IUPAC Name: N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-4-bromo-1H-pyrrole-2-carboxamide

Structure

SMILES: N=C1NC=C(/C=C/CNC(=O)C2=CC(Br)=CN2)N1

InChI: InChI=1S/C11H12BrN5O/c12-7-4-9(15-5-7)10(18)14-3-1-2-8-6-16-11(13)17-8/h1-2,4-6,15H,3H2,(H,14,18)(H3,13,16,17)/b2-1+

InChIKey: KHJREOQCERRAME-OWOJBTEDSA-N

Reference

Structure of debromo-carteramine A, a novel bromopyrrole alkaloid from the Mediterranean sponge Axinella verrucosa

PubChem CID: 6439099

CAS: 107019-95-4

LOTUS: LTS0251023

NPASS: NPC43869

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 310.155

TPSA？: 100.32

MolLogP？: 1.35607

Number of H-Donors: 5

Number of H-Acceptors: 2

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	HepG2	Activity	25.0	%	10.1039/C4MD00286E
Homo sapiens	SH-SY5Y	Activity	25.0	%	10.1021/acs.jnatprod.0c00223
Homo sapiens	SH-SY5Y	Activity	nan	None	10.1021/acs.jnatprod.0c00223
Homo sapiens	Voltage-gated potassium channel subunit Kv1.1	IC50	30000.0	nM	10.1016/j.ejmech.2017.08.015
Homo sapiens	Voltage-gated potassium channel subunit Kv1.2	IC50	30000.0	nM	10.1016/j.ejmech.2017.08.015
Homo sapiens	Voltage-gated potassium channel subunit Kv1.3	IC50	2500.0	nM	10.1016/j.ejmech.2017.08.015
Homo sapiens	Voltage-gated potassium channel subunit Kv1.4	IC50	5300.0	nM	10.1016/j.ejmech.2017.08.015
Homo sapiens	Voltage-gated potassium channel subunit Kv1.5	IC50	7600.0	nM	10.1016/j.ejmech.2017.08.015
Homo sapiens	Voltage-gated potassium channel subunit Kv1.6	IC50	3700.0	nM	10.1016/j.ejmech.2017.08.015
Mus musculus	BV-2	Activity	nan	None	10.1021/acs.jnatprod.0c00223
Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	6.1	ug.mL-1	10.1016/j.ejmech.2017.06.005
Rattus norvegicus	Potassium voltage-gated channel subfamily A member 2	Inhibition	nan	%	10.1016/j.ejmech.2017.08.015
Rattus norvegicus	Potassium voltage-gated channel subfamily A member 5	Inhibition	10.0	%	10.1016/j.ejmech.2017.08.015
Rattus norvegicus	Potassium voltage-gated channel subfamily A member 6	Inhibition	22.0	%	10.1016/j.ejmech.2017.08.015
Rattus norvegicus	Potassium voltage-gated channel subfamily H member 1	Inhibition	nan	%	10.1016/j.ejmech.2017.08.015
Rattus norvegicus	Voltage-gated potassium channel subunit Kv1.1	Inhibition	nan	%	10.1016/j.ejmech.2017.08.015
Rattus norvegicus	Voltage-gated potassium channel subunit Kv1.3	Inhibition	32.0	%	10.1016/j.ejmech.2017.08.015
Rattus norvegicus	Voltage-gated potassium channel subunit Kv1.4	Inhibition	11.0	%	10.1016/j.ejmech.2017.08.015
None	Unchecked	IC50	23000.0	nM	10.1021/acs.jnatprod.8b00533
None	Unchecked	Inhibition	nan	%	10.1021/acs.jnatprod.0c00223