1-Phenylisatin
AlkaPlorer ID: AK323900
Synonym: None
IUPAC Name: 1-phenylindole-2,3-dione
Structure
SMILES: O=C1C(=O)N(C2=CC=CC=C2)C2=CC=CC=C12
InChI: InChI=1S/C14H9NO2/c16-13-11-8-4-5-9-12(11)15(14(13)17)10-6-2-1-3-7-10/h1-9H
InChIKey: UWCPWBIMRYXUOU-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Salvia miltiorrhiza | Salvia | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 223.231
TPSA？: 37.38
MolLogP？: 2.547600000000001
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Acetylcholinesterase | Ki | 100000.0 | nM | 10.1021/jm061471k |
| Homo sapiens | Acyl coenzyme A:cholesterol acyltransferase | Ki | 23.0 | nM | 10.1021/jm061471k |
| Homo sapiens | Acyl coenzyme A:cholesterol acyltransferase | Ki | 23.0 | nM | 10.1021/np300628a |
| Homo sapiens | Aldehyde dehydrogenase 1A1 | Potency | 6309.6 | nM | None |
| Homo sapiens | Butyrylcholinesterase | Ki | 68800.0 | nM | 10.1021/jm061471k |
| Homo sapiens | Carboxylesterase 2 | Ki | 950.0 | nM | 10.1021/np300628a |
| Homo sapiens | Cellular tumor antigen p53 | Potency | 2511.9 | nM | None |
| Homo sapiens | Glycoprotein hormones alpha chain | Potency | 2511.9 | nM | None |
| Homo sapiens | Lysosomal alpha-glucosidase | Potency | 1778.3 | nM | None |
| Homo sapiens | Neuropeptide S receptor | Potency | 10000.0 | nM | None |
| Homo sapiens | Prostaglandin E synthase | Inhibition | 90.0 | % | 10.1016/j.bmcl.2012.10.085 |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 16360.1 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 20596.2 | nM | None |
| Plasmodium falciparum | Falcipain 2 | IC50 | nan | nM | 10.1016/s0960-894x(03)00756-x |
| Trypanosoma brucei rhodesiense | Rhodesain | IC50 | nan | nM | 10.1016/s0960-894x(03)00756-x |
| Trypanosoma cruzi | Cruzipain | IC50 | 10000.0 | nM | 10.1016/s0960-894x(03)00756-x |
| None | Unchecked | Conc @ Max Fold Incr | 0.049 | um | None |
| None | Unchecked | IC50 | 8230.0 | nM | None |
| None | Unchecked | IC50 | 17840.0 | nM | None |
| None | Unchecked | Ki | 610.0 | nM | 10.1021/jm061471k |
| None | Unchecked | Ki | 950.0 | nM | 10.1021/jm061471k |
| None | Unchecked | Potency | 7079.5 | nM | None |
| None | Unchecked | Potency | 29092.9 | nM | None |