Pentanoic acid [(3,4-dimethoxy-phenyl)-(8-hydroxy-quinolin-7-yl)-methyl]-amide
AlkaPlorer ID: AK553171
Synonym: None
IUPAC Name: N-[(3,4-dimethoxyphenyl)-(8-hydroxyquinolin-7-yl)methyl]pentanamide
Structure
SMILES: CCCCC(=O)NC(C1=CC=C(OC)C(OC)=C1)C1=CC=C2C=CC=NC2=C1O
InChI: InChI=1S/C23H26N2O4/c1-4-5-8-20(26)25-21(16-10-12-18(28-2)19(14-16)29-3)17-11-9-15-7-6-13-24-22(15)23(17)27/h6-7,9-14,21,27H,4-5,8H2,1-3H3,(H,25,26)
InChIKey: VVRFQSOMYLFRRY-UHFFFAOYSA-N
Reference
PubChem CID: 3129250
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 394.4710000000001
TPSA？: 80.68
MolLogP？: 4.353400000000004
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Ataxin-2 | Potency | 3162.3 | nM | None |
| Homo sapiens | Chromobox protein homolog 1 | Potency | 100000.0 | nM | None |
| Homo sapiens | Geminin | Potency | 5804.8 | nM | None |
| Homo sapiens | Geminin | Potency | 20596.2 | nM | None |
| Homo sapiens | HEK293 | AC50 | 7930.0 | nM | None |
| Homo sapiens | HEK293 | Potency | 15848.9 | nM | None |
| Homo sapiens | HepG2 | Potency | 3548.1 | nM | None |
| Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic | Potency | 14581.0 | nM | None |
| Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic | Potency | 16481.6 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4A | Potency | 56234.1 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 3548.1 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 20596.2 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 1299.5 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 3264.3 | nM | None |
| Human herpesvirus 4 (strain B95-8) | Latent membrane protein 1 | AC50 | 4635.0 | nM | None |
| Human herpesvirus 4 (strain B95-8) | Latent membrane protein 1 | AC50 | 5630.0 | nM | None |
| Plasmodium falciparum 3D7 | HSP40, subfamily A, putative | AbsAC1000_uM | 1.833 | uM | None |
| Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) | Transcription factor SKN7 | AbsAC40_uM | 1.0 | uM | None |
| None | No relevant target | IC50 | 118589.0 | nM | None |
| None | Unchecked | AC50 | 1360.0 | nM | None |
| None | Unchecked | AC50 | 1400.0 | nM | None |
| None | Unchecked | AC50 | 60120.0 | nM | None |
| None | Unchecked | IC50 | 118589.0 | nM | None |
| None | Unchecked | Potency | 1122.0 | nM | None |
| None | Unchecked | Potency | 1778.3 | nM | None |
| None | Unchecked | Potency | 2909.3 | nM | None |
| None | Unchecked | Potency | 3162.3 | nM | None |
| None | Unchecked | Potency | 3548.1 | nM | None |
| None | Unchecked | Potency | 11220.2 | nM | None |