Molecule

N-[(2E)-3-(2-amino-1H-imidazol-4-yl)prop-2-en-1-yl]-1H-pyrrole-2-carboxamide

AlkaPlorer ID: AK489464

Synonym: None

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

Structure

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

InChI: InChI=1S/C11H13N5O/c12-11-15-7-8(16-11)3-1-6-14-10(17)9-4-2-5-13-9/h1-5,7,13H,6H2,(H,14,17)(H3,12,15,16)/b3-1+

InChIKey: PJKFCZYTTBYEHL-HNQUOIGGSA-N

Reference

The Structure of Clathrodin, a Novel Alkaloid Isolated from the Caribbean Sea Sponge Agelas clathrodes

PubChem CID: 5388709

CAS: 135383-64-1

LOTUS: LTS0178616

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Agelas clathrodes	Agelas	Agelasidae	Agelasida	Demospongiae	Porifera	Metazoa	Eukaryota

Properties Information

Molecule Weight: 231.25900000000004

TPSA？: 100.32

MolLogP？: 0.5935699999999999

Number of H-Donors: 5

Number of H-Acceptors: 2

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Cricetulus griseus	CHO-K1	ED50	1.33	ug ml-1	10.1021/np50074a051
Homo sapiens	5'-nucleotidase	IC50	1600.0	nM	10.1016/j.bmc.2021.116058
Homo sapiens	HepG2	Activity	27.0	%	10.1039/C4MD00286E
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	30000.0	nM	10.1016/j.ejmech.2017.08.015
Homo sapiens	Voltage-gated potassium channel subunit Kv1.4	IC50	30000.0	nM	10.1016/j.ejmech.2017.08.015
Homo sapiens	Voltage-gated potassium channel subunit Kv1.5	IC50	30000.0	nM	10.1016/j.ejmech.2017.08.015
Homo sapiens	Voltage-gated potassium channel subunit Kv1.6	IC50	30000.0	nM	10.1016/j.ejmech.2017.08.015
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	nan	%	10.1016/j.ejmech.2017.08.015
Rattus norvegicus	Potassium voltage-gated channel subfamily A member 6	Inhibition	nan	%	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	nan	%	10.1016/j.ejmech.2017.08.015
Rattus norvegicus	Voltage-gated potassium channel subunit Kv1.4	Inhibition	nan	%	10.1016/j.ejmech.2017.08.015
None	Unchecked	Activity	nan	None	10.1021/np50074a051