Molecule

6-Methoxy-2,3,4,9-tetrahydro-beta-carbolin-1-one

AlkaPlorer ID: AK097585

Synonym: None

IUPAC Name: 6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one

SMILES: COC1=CC=C2NC3=C(CCNC3=O)C2=C1

InChI: InChI=1S/C12H12N2O2/c1-16-7-2-3-10-9(6-7)8-4-5-13-12(15)11(8)14-10/h2-3,6,14H,4-5H2,1H3,(H,13,15)

InChIKey: PWARHDUWOJUADN-UHFFFAOYSA-N

PubChem CID: 87372

CAS: 17952-87-3

LOTUS: LTS0244418

COCONUT: CNP0462726

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Boronia pinnata	Boronia	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 216.24

TPSA？: 54.12

MolLogP？: 1.4624

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 3

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	15-hydroxyprostaglandin dehydrogenase [NAD+]	Potency	28183.8	nM	None
Homo sapiens	Aldehyde dehydrogenase 1A1	Potency	28183.8	nM	None
Homo sapiens	DNA polymerase iota	Potency	1584.9	nM	None
Homo sapiens	Lysine-specific demethylase 4D-like	Potency	31622.8	nM	None
Homo sapiens	Melatonin receptor	IC50	33000.0	nM	10.1021/jm960651z
Homo sapiens	Melatonin receptor	Ki	9100.0	nM	10.1021/jm960651z
Homo sapiens	Melatonin receptor	Ratio	15000.0	None	10.1021/jm960651z
Homo sapiens	Microtubule-associated protein tau	Potency	39810.7	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	2592.9	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	3264.3	nM	None
Rattus norvegicus	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	AC50	845.0	nM	None
Rattus norvegicus	Metabotropic glutamate receptor 1	IC50	10000.0	nM	10.1016/j.bmcl.2007.01.055
Rattus norvegicus	Thioredoxin reductase 1, cytoplasmic	Potency	28183.8	nM	None
Rattus norvegicus	Thioredoxin reductase 1, cytoplasmic	Potency	31622.8	nM	None