1H-Pyrrole-2,5-dione; N-(2-Chlorophenyl)
AlkaPlorer ID: AK274592
Synonym: None
IUPAC Name: 1-(2-chlorophenyl)pyrrole-2,5-dione
Structure
SMILES: O=C1C=CC(=O)N1C1=CC=CC=C1Cl
InChI: InChI=1S/C10H6ClNO2/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(12)14/h1-6H
InChIKey: KPQOXMCRYWDRSB-UHFFFAOYSA-N
Reference
Cytotoxic Sterol Derivatives from a Marine Sponge <i>Homaxinella </i>sp.
PubChem CID: 14550
CAS: 1203-24-3
SuperNatural Ⅲ: SN0192019
COCONUT: CNP0453681
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 207.616
TPSA？: 37.38
MolLogP？: 1.7694
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Anandamide amidohydrolase | IC50 | 214000.0 | nM | 10.1021/jm900461w |
| Homo sapiens | D-3-phosphoglycerate dehydrogenase | Inhibition | 78.0 | % | 10.1021/acs.jmedchem.6b01166 |
| Homo sapiens | HepG2-CD81 | HEPG2TOX ASSAY - CC50 | 6.18 | uM | 10.1126/science.aat9446 |
| Homo sapiens | HepG2-CD81 | HEPG2TOX ASSAY - CC90 | 6.18 | uM | 10.1126/science.aat9446 |
| Homo sapiens | Monoglyceride lipase | IC50 | 4170.0 | nM | 10.1021/jm900461w |
| Plasmodium berghei | Plasmodium berghei | LUCIFERASE EXPRESSION CONTROL - IC50 | 15.9 | uM | 10.1126/science.aat9446 |
| Plasmodium berghei | Plasmodium berghei | LUCIFERASE EXPRESSION CONTROL - IC90 | 15.9 | uM | 10.1126/science.aat9446 |
| Plasmodium berghei | Plasmodium berghei | LUCIFERASE INFECTION ASSAY - IC50 | 6.18 | uM | 10.1126/science.aat9446 |
| Plasmodium berghei | Plasmodium berghei | LUCIFERASE INFECTION ASSAY - IC90 | 15.9 | uM | 10.1126/science.aat9446 |
| None | Unchecked | Ratio IC50 | 77.0 | None | 10.1021/jm900461w |