Molecule

7-methoxy-1H,2H,3H,4H,9H-pyrido[3,4-b]indole

AlkaPlorer ID: AK254941

Synonym: None

IUPAC Name: 7-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

Structure

SMILES: COC1=CC=C2C3=C(CNCC3)NC2=C1

InChI: InChI=1S/C12H14N2O/c1-15-8-2-3-9-10-4-5-13-7-12(10)14-11(9)6-8/h2-3,6,13-14H,4-5,7H2,1H3

InChIKey: SCIRNASYBOGBOO-UHFFFAOYSA-N

Reference

Banisteriopsis caapi, a unique combination of MAO inhibitory and antioxidative constituents for the activities relevant to neurodegenerative disorders and Parkinson's disease

PubChem CID: 599482

LOTUS: LTS0055392

COCONUT: CNP0399622

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Banisteriopsis caapi	Banisteriopsis	Malpighiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 202.257

TPSA？: 37.05

MolLogP？: 1.8222

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bos taurus	Dopamine transporter	Ki	10000.0	nM	10.1016/j.bmcl.2003.09.027
Homo sapiens	Alpha-1a adrenergic receptor	Ki	10000.0	nM	10.1016/j.bmcl.2003.09.027
Homo sapiens	Alpha-1b adrenergic receptor	Ki	10000.0	nM	10.1016/j.bmcl.2003.09.027
Homo sapiens	Alpha-2a adrenergic receptor	Ki	1370.0	nM	10.1016/j.bmcl.2003.09.027
Homo sapiens	Alpha-2b adrenergic receptor	Ki	140.0	nM	10.1016/j.bmcl.2003.09.027
Homo sapiens	Alpha-2c adrenergic receptor	Ki	1740.0	nM	10.1016/j.bmcl.2003.09.027
Homo sapiens	Beta-1 adrenergic receptor	Ki	10000.0	nM	10.1016/j.bmcl.2003.09.027
Homo sapiens	Beta-2 adrenergic receptor	Ki	10000.0	nM	10.1016/j.bmcl.2003.09.027
Homo sapiens	Dopamine receptor	Ki	nan	nM	10.1016/j.bmcl.2003.09.027
Homo sapiens	Muscarinic acetylcholine receptor	Ki	10000.0	nM	10.1016/j.bmcl.2003.09.027
Homo sapiens	Nischarin	Ki	12.0	nM	10.1016/j.bmcl.2003.09.027
Homo sapiens	Nischarin	Ki	10000.0	nM	10.1016/j.bmcl.2003.09.027
Homo sapiens	Nischarin	Ki	10000.0	nM	10.1016/j.bmcl.2003.09.092
Homo sapiens	Nischarin	Ki	100000.0	nM	10.1016/j.bmcl.2003.11.078
Homo sapiens	Norepinephrine transporter	Ki	10000.0	nM	10.1016/j.bmcl.2003.09.027
Homo sapiens	Serotonin 1a (5-HT1a) receptor	Ki	10000.0	nM	10.1016/j.bmcl.2003.09.027
Homo sapiens	Serotonin 1b (5-HT1b) receptor	Ki	10000.0	nM	10.1016/j.bmcl.2003.09.027
Homo sapiens	Serotonin 1d (5-HT1d) receptor	Ki	10000.0	nM	10.1016/j.bmcl.2003.09.027
Homo sapiens	Serotonin 2c (5-HT2c) receptor	Ki	10000.0	nM	10.1016/j.bmcl.2003.09.027
Homo sapiens	Serotonin 3 (5-HT3) receptor	Ki	10000.0	nM	10.1016/j.bmcl.2003.09.027
Homo sapiens	Serotonin 5a (5-HT5a) receptor	Ki	10000.0	nM	10.1016/j.bmcl.2003.09.027
Homo sapiens	Serotonin 5a (5-HT5a) receptor	Ki	10000.0	nM	10.1021/jm030080s
Homo sapiens	Serotonin 6 (5-HT6) receptor	Ki	10000.0	nM	10.1016/j.bmcl.2003.09.027
Homo sapiens	Serotonin 7 (5-HT7) receptor	Ki	1400.0	nM	10.1016/j.bmcl.2003.09.027
Homo sapiens	Serotonin transporter	Ki	10000.0	nM	10.1016/j.bmcl.2003.09.027
Rattus norvegicus	Adrenergic receptor alpha-2	Ki	8840.0	nM	10.1016/j.bmcl.2003.09.092
Rattus norvegicus	Adrenergic receptor alpha-2	Ki	8840.0	nM	10.1016/j.bmcl.2003.11.078
Rattus norvegicus	Alpha-2b adrenergic receptor	Ki	140.0	nM	10.1016/j.bmcl.2003.11.078
Rattus norvegicus	GABA-A receptor; anion channel	Ki	nan	nM	10.1016/j.bmcl.2003.09.027
Rattus norvegicus	Metabotropic glutamate receptor	Ki	nan	nM	10.1016/j.bmcl.2003.09.027
Rattus norvegicus	Serotonin 2a (5-HT2a) receptor	Ki	1000.0	nM	10.1016/j.bmcl.2003.11.078
Rattus norvegicus	Serotonin 2a (5-HT2a) receptor	Ki	2200.0	nM	10.1016/j.bmcl.2003.09.027
Rattus norvegicus	Serotonin 2a (5-HT2a) receptor	Ki	4620.0	nM	10.1016/j.bmcl.2003.09.027
Rattus norvegicus	Serotonin 2c (5-HT2c) receptor	Ki	10000.0	nM	10.1016/j.bmcl.2003.09.027
None	Unchecked	Ki	12.0	nM	10.1016/j.bmcl.2003.09.092
None	Unchecked	Ki	12.0	nM	10.1016/j.bmcl.2003.11.078
None	Unchecked	Ki	12.0	nM	10.1016/j.bmcl.2003.12.033