1H-Indole-3-carboxylic acid; N-Me, amide
AlkaPlorer ID: AK030203
Synonym: 1-Methyl-1H-indole-3-carboxamide
IUPAC Name: 1-methylindole-3-carboxamide
Structure
SMILES: CN1C=C(C(=N)O)C2=CC=CC=C21
InChI: InChI=1S/C10H10N2O/c1-12-6-8(10(11)13)7-4-2-3-5-9(7)12/h2-6H,1H3,(H2,11,13)
InChIKey: UHQHFXKJFJHBAE-UHFFFAOYSA-N
Reference
New β-carboline and indole alkaloids from Actinomycete Actinomadura sp. BCC 24717
PubChem CID: 823187
CAS: 118959-44-7
LOTUS: LTS0122988
COCONUT: CNP0122714
{NPAtlas: NPA010197
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinomadura sp. | Actinomadura | Thermomonosporaceae | Streptosporangiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 174.203
TPSA？: 49.010000000000005
MolLogP？: 2.06167
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B | Potency | 89125.1 | nM | None |
| Homo sapiens | Geminin | Potency | 4109.5 | nM | None |
| Homo sapiens | Inosine-5'-monophosphate dehydrogenase 2 | Inhibition | 50.0 | % | 10.1016/j.bmcl.2006.01.089 |
| Homo sapiens | Runt-related transcription factor 1/Core-binding factor subunit beta | Potency | 8912.5 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 73.8 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 2616.9 | nM | None |
| Pseudomonas putida | Steroid Delta-isomerase | Kd | 63000.0 | nM | 10.1021/jm301603n |
| None | Unchecked | Potency | 92.0 | nM | None |