methyl 1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylate
AlkaPlorer ID: AK052203
Synonym: 'SMR000019205', 'MLS000084859', 'methyl 2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate'
IUPAC Name: methyl (3R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Structure
SMILES: COC(=O)[C@H]1CC2=C(CN1)NC1=CC=CC=C21
InChI: InChI=1S/C13H14N2O2/c1-17-13(16)11-6-9-8-4-2-3-5-10(8)15-12(9)7-14-11/h2-5,11,14-15H,6-7H2,1H3/t11-/m1/s1
InChIKey: QZGCHMZBGHVZFB-LLVKDONJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 230.267
TPSA？: 54.12
MolLogP？: 1.3551999999999995
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cytochrome P450 19A1 | Inhibition | 14.3 | % | 10.1016/j.bmc.2011.09.020 |
| Mus musculus | NAD(P)H dehydrogenase [quinone] 1 | Ratio | 1.1 | None | 10.1016/j.bmc.2011.09.020 |
| Mus musculus | NAD(P)H dehydrogenase [quinone] 1 | Survival | 115.0 | % | 10.1016/j.bmc.2011.09.020 |
| Mus musculus | Nitric oxide synthase, inducible | Inhibition | 7.2 | % | 10.1016/j.bmc.2011.09.020 |
| Mus musculus | Nitric oxide synthase, inducible | Survival | 116.5 | % | 10.1016/j.bmc.2011.09.020 |
| None | Unchecked | IC50 | 22100.0 | nM | 10.1016/j.bmc.2011.09.020 |
| None | Unchecked | Inhibition | 58.4 | % | 10.1016/j.bmc.2011.09.020 |
| None | Unchecked | Survival | 60.3 | % | 10.1016/j.bmc.2011.09.020 |