Molecule

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

AlkaPlorer ID: AK315411

Synonym: None

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

SMILES: CC1NC(C(=O)O)CC2=C1NC1=CC=CC=C21

InChI: InChI=1S/C13H14N2O2/c1-7-12-9(6-11(14-7)13(16)17)8-4-2-3-5-10(8)15-12/h2-5,7,11,14-15H,6H2,1H3,(H,16,17)

InChIKey: ZUPHXNBLQCSEIA-UHFFFAOYSA-N

PubChem CID: 4264556

LOTUS: LTS0109221

NPASS: NPC219336

COCONUT: CNP0287046.2

data_source: manually

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Carthamus tinctorius	Carthamus	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 230.267

TPSA？: 65.12

MolLogP？: 1.8278

Number of H-Donors: 3

Number of H-Acceptors: 2

RingCount: 3

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Amorphotheca resinae	Amorphotheca resinae	MIC	60.0	ug	10.1021/np50076a023
Bacillus subtilis	Bacillus subtilis	MIC	60.0	ug	10.1021/np50076a023
Candida albicans	Candida albicans	MIC	60.0	ug	10.1021/np50076a023
Culex quinquefasciatus	Culex quinquefasciatus	Activity	nan	None	10.3390/molecules15117775
Culex quinquefasciatus	Culex quinquefasciatus	mortality	34.85	%	10.3390/molecules15117775
Escherichia coli	Escherichia coli	MIC	60.0	ug	10.1021/np50076a023
Homo sapiens	DNA-(apurinic or apyrimidinic site) lyase	Potency	39810.7	nM	None
Homo sapiens	Protein-tyrosine phosphatase 1B	Inhibition	21.3	%	10.1016/j.bmcl.2015.03.014
Human alphaherpesvirus 1	Human alphaherpesvirus 1	IZ	nan	None	10.1021/np50076a023
Lipaphis erysimi	Lipaphis erysimi	Activity	nan	None	10.3390/molecules15117775
Mus musculus	P388	IC50	125.0	ug.mL-1	10.1021/np50076a023
Poliovirus 1	Poliovirus 1	IZ	nan	None	10.1021/np50076a023
Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	60.0	ug	10.1021/np50076a023
Trichophyton mentagrophytes	Trichophyton mentagrophytes	MIC	60.0	ug	10.1021/np50076a023
None	ADMET	IZ	nan	None	10.1021/np50076a023