2,3-diphenyl-1H-indole-7-carboxylic acid
AlkaPlorer ID: AK479399
Synonym: None
IUPAC Name: 2,3-diphenyl-1H-indole-7-carboxylic acid
Structure
SMILES: O=C(O)C1=CC=CC2=C1NC(C1=CC=CC=C1)=C2C1=CC=CC=C1
InChI: InChI=1S/C21H15NO2/c23-21(24)17-13-7-12-16-18(14-8-3-1-4-9-14)19(22-20(16)17)15-10-5-2-6-11-15/h1-13,22H,(H,23,24)
InChIKey: OLUDUXWVPIEHDA-UHFFFAOYSA-N
Reference
Acylated Iridoids with Cytotoxicity from <i>Valeriana</i> <i>jatamansi</i>
PubChem CID: 5003498
CAS: 197313-74-9
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 313.356
TPSA？: 53.09
MolLogP？: 5.200100000000003
Number of H-Donors: 2
Number of H-Acceptors: 1
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B | Potency | 28183.8 | nM | None |
| Homo sapiens | FAD-linked sulfhydryl oxidase ALR | AC50 | 4561.0 | nM | None |
| Homo sapiens | Flap endonuclease 1 | Potency | 79432.8 | nM | None |
| Homo sapiens | Geminin | Potency | 29092.9 | nM | None |
| Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic | Potency | 730.8 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4A | Potency | 44668.4 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 28183.8 | nM | None |
| Homo sapiens | Microtubule-associated protein tau | Potency | 1584.9 | nM | None |
| Homo sapiens | Rap guanine nucleotide exchange factor 4 | Potency | 56234.1 | nM | None |
| Homo sapiens | Serine/threonine-protein kinase PIM1 | IC50 | 550.0 | nM | 10.1021/jm2014698 |
| Homo sapiens | Serine/threonine-protein kinase PIM1 | Ki | 550.0 | nM | 10.1021/jm701248t |
| Homo sapiens | Serine/threonine-protein kinase PLK1 | Potency | 23778.1 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 50118.7 | nM | None |
| Human immunodeficiency virus 1 | Envelope glycoprotein gp160 | IC50 | 16800.0 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Inhibition | -1.0 | % | 10.6019/CHEMBL4888484 |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 13115.4 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Z score | 0.21 | None | 10.6019/CHEMBL4888484 |
| Streptococcus | Streptococcus | EC50 | 150000.0 | nM | None |
| Streptococcus pyogenes serotype M1 | Streptokinase A | EC50 | 8505.0 | nM | None |
| Streptococcus pyogenes serotype M1 | Streptokinase A | EC50 | 15572.0 | nM | None |
| Streptococcus sp. 'group A' | Streptococcus sp. 'group A' | EC50 | 6238.0 | nM | None |