Molecule

2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid; (±)-form

AlkaPlorer ID: AK315448

Synonym: None

IUPAC Name: 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

SMILES: O=C(O)C1CC2=C(CN1)NC1=CC=CC=C21

InChI: InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)

InChIKey: FSNCEEGOMTYXKY-UHFFFAOYSA-N

PubChem CID: 3288669

CAS: 42438-90-4

LOTUS: LTS0197028

NPASS: NPC15573

COCONUT: CNP0110814.2

data_source: manually

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Allium tuberosum	Allium	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 216.24000000000004

TPSA？: 65.12

MolLogP？: 1.2667999999999997

Number of H-Donors: 3

Number of H-Acceptors: 2

RingCount: 3

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bos taurus	GABA-A receptor; anion channel	IC50	22000.0	nM	10.1021/jm00358a008
Culex quinquefasciatus	Culex quinquefasciatus	Activity	nan	None	10.3390/molecules15117775
Culex quinquefasciatus	Culex quinquefasciatus	mortality	34.85	%	10.3390/molecules15117775
Homo sapiens	A498	IC50	50000.0	nM	10.1016/j.bmcl.2015.07.058
Homo sapiens	COLO 205	IC50	50000.0	nM	10.1016/j.bmcl.2015.07.058
Homo sapiens	Detroit 551	IC50	nan	None	10.1016/j.bmcl.2015.07.058
Homo sapiens	HL-60	IC50	nan	None	10.1016/j.bmcl.2015.07.058
Homo sapiens	Protein-tyrosine phosphatase 1B	Inhibition	26.0	%	10.1016/j.bmcl.2015.03.014
Homo sapiens	SK-OV-3	IC50	nan	None	10.1016/j.bmcl.2015.07.058
Lipaphis erysimi	Lipaphis erysimi	Activity	nan	None	10.3390/molecules15117775
Mus musculus	GABA-A receptor; anion channel	Inhibition	nan	%	10.1021/jm00358a008
Rattus norvegicus	Amino acid transporter	Inhibition	25.0	%	None
None	NON-PROTEIN TARGET	GI	53.42	%	10.3390/molecules15117775
None	NON-PROTEIN TARGET	IC50	50000.0	nM	10.1016/j.bmcl.2015.07.058
None	NON-PROTEIN TARGET	IC50	nan	None	10.1016/j.bmcl.2015.07.058
None	Unchecked	Inhibition	17.0	%	10.1016/j.bmcl.2018.03.002