Molecule

Marinoquinoline A

AlkaPlorer ID: AK101406

Synonym: None

IUPAC Name: 4-methyl-3H-pyrrolo[2,3-c]quinoline

SMILES: CC1=NC2=CC=CC=C2C2=C1NC=C2

InChI: InChI=1S/C12H10N2/c1-8-12-10(6-7-13-12)9-4-2-3-5-11(9)14-8/h2-7,13H,1H3

InChIKey: ACXUHCGZGZYMGI-UHFFFAOYSA-N

PubChem CID: 52952002

CAS: 920317-36-8

LOTUS: LTS0078428

NPASS: NPC321911

COCONUT: CNP0242714

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Ohtaekwangia kribbensis	Ohtaekwangia	Fulvivirgaceae	Cytophagales	Cytophagia	Bacteroidota	None	Bacteria
Rapidithrix thailandica	Rapidithrix	Flammeovirgaceae	Cytophagales	Cytophagia	Bacteroidota	None	Bacteria

Molecule Weight: 182.226

TPSA？: 28.68

MolLogP？: 3.0245200000000008

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 3

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Electrophorus electricus	Acetylcholinesterase	IC50	3600.0	nM	10.1016/j.ejmech.2022.114206
Escherichia coli	Escherichia coli	Activity	nan	None	10.1021/np100625a
Homo sapiens	HepG2	EC50	nan	None	10.1021/acs.jmedchem.8b00143
Homo sapiens	HUVEC	IC50	1.5	ug.mL-1	10.1021/np100625a
Homo sapiens	MCF7	IC50	3.5	ug.mL-1	10.1021/np100625a
Leishmania donovani	Leishmania donovani	IC50	548800.0	nM	10.1021/np100625a
Mus musculus	L929	IC50	5.5	ug.mL-1	10.1021/np100625a
Plasmodium falciparum	Plasmodium falciparum	IC50	9800.0	nM	10.1021/np100625a
Plasmodium falciparum	Plasmodium falciparum	IC50	10000.0	nM	10.1021/acs.jmedchem.8b00143
Rattus norvegicus	L6	IC50	30600.0	nM	10.1021/np100625a
Trypanosoma brucei rhodesiense	Trypanosoma brucei rhodesiense	IC50	54400.0	nM	10.1021/np100625a
Trypanosoma cruzi	Trypanosoma cruzi	IC50	29500.0	nM	10.1021/np100625a
None	ADMET	TI	nan	None	10.1021/acs.jmedchem.8b00143
None	NON-PROTEIN TARGET	IC50	2.2	ug.mL-1	10.1021/np100625a