N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]pentanamide
AlkaPlorer ID: AK360006
Synonym: None
IUPAC Name: N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]pentanamide
Structure
SMILES: CCCCC(=O)NC(C1=CC=CC=C1)C1=CC=C2C=CC=NC2=C1O
InChI: InChI=1S/C21H22N2O2/c1-2-3-11-18(24)23-19(15-8-5-4-6-9-15)17-13-12-16-10-7-14-22-20(16)21(17)25/h4-10,12-14,19,25H,2-3,11H2,1H3,(H,23,24)
InChIKey: CVIIJBCJKCLLCV-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 334.4190000000001
TPSA？: 62.22
MolLogP？: 4.336200000000004
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans (strain WO-1) (Yeast) | ATP-dependent molecular chaperone HSP82 | EC50 | 752.0 | nM | None |
| Candida albicans (strain WO-1) (Yeast) | ATP-dependent molecular chaperone HSP82 | EC50 | 24244.0 | nM | None |
| Candida albicans (strain WO-1) (Yeast) | ATP-dependent molecular chaperone HSP82 | EC50 | 150000.0 | nM | None |
| Candida dubliniensis (strain CD36 / CBS 7987 / NCPF 3949 / NRRLY-17841) (Yeast) | Serine/threonine-protein phosphatase | EC50 | 180000.0 | nM | None |
| Escherichia coli (strain K12) | Exodeoxyribonuclease V | IC50 | 118489.0 | nM | None |
| Giardia intestinalis | Putative fructose-1,6-bisphosphate aldolase | Potency | 31622.8 | nM | None |
| Homo sapiens | ATPase family AAA domain-containing protein 5 | Potency | 6510.4 | nM | None |
| Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B | Potency | 39810.7 | nM | None |
| Homo sapiens | Chromobox protein homolog 1 | Potency | 100000.0 | nM | None |
| Homo sapiens | Geminin | Potency | 517.4 | nM | None |
| Homo sapiens | Geminin | Potency | 3264.3 | nM | None |
| Homo sapiens | Glucagon-like peptide 1 receptor | Potency | 3162.3 | nM | None |
| Homo sapiens | Glycoprotein hormones alpha chain | Potency | 5011.9 | nM | None |
| Homo sapiens | Heat shock protein HSP 90-alpha | AC50 | 25451.0 | nM | None |
| Homo sapiens | HEK293 | IC50 | 8620.0 | nM | None |
| Homo sapiens | HEK293 | IC50 | 10570.0 | nM | None |
| Homo sapiens | HEK293 | Potency | 1258.9 | nM | None |
| Homo sapiens | HepG2 | Potency | 501.2 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase MLL | Potency | 11220.2 | nM | None |
| Homo sapiens | Huh-7 | CC50 | 100000.0 | nM | 10.1073/pnas.0802982105 |
| Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic | Potency | 580.5 | nM | None |
| Homo sapiens | Jurkat | IC50 | 5620.0 | nM | None |
| Homo sapiens | microRNA 21 | Potency | 2930.9 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 1258.9 | nM | None |
| Homo sapiens | Muscleblind-like protein 1 | Potency | 28183.8 | nM | None |
| Homo sapiens | Niemann-Pick C1 protein | Potency | 6309.6 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 2592.9 | nM | None |
| Homo sapiens | Paired box protein Pax-8 | AC50 | 3240.0 | nM | None |
| Homo sapiens | Ras-related protein Rab-9A | Potency | 3162.3 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 580.5 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 730.8 | nM | None |
| Human immunodeficiency virus 1 | Aberrant vpr protein | Potency | 63095.7 | nM | None |
| Mus musculus | Nuclear receptor ROR-gamma | Potency | 1258.9 | nM | None |
| Mus musculus | Nuclear receptor ROR-gamma | Potency | 2511.9 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | EC50 | 239.3 | nM | 10.1073/pnas.0802982105 |
| Plasmodium falciparum | Plasmodium falciparum | EC50 | 387.0 | nM | 10.1073/pnas.0802982105 |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 5858.4 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 8275.3 | nM | None |
| Plasmodium falciparum 3D7 | HSP90 | AC50 | 23560.0 | nM | None |
| Plasmodium yoelii | Plasmodium yoelii | Activity | nan | None | 10.1126/science.1211936 |
| Rattus norvegicus | INS1 | AC50 | 614.1 | nM | None |
| None | Unchecked | AC50 | 1310.0 | nM | None |
| None | Unchecked | AC50 | 2130.0 | nM | None |
| None | Unchecked | AC50 | 2150.0 | nM | None |
| None | Unchecked | AC50 | 2350.0 | nM | None |
| None | Unchecked | AC50 | 2370.0 | nM | None |
| None | Unchecked | AC50 | 2440.0 | nM | None |
| None | Unchecked | AC50 | 2450.0 | nM | None |
| None | Unchecked | AC50 | 3280.0 | nM | None |
| None | Unchecked | AC50 | 3880.0 | nM | None |
| None | Unchecked | AC50 | 4160.0 | nM | None |
| None | Unchecked | AC50 | 5470.0 | nM | None |
| None | Unchecked | AC50 | 9110.0 | nM | None |
| None | Unchecked | AC50 | 9220.0 | nM | None |
| None | Unchecked | AC50 | 10950.0 | nM | None |
| None | Unchecked | AC50 | 63300.0 | nM | None |
| None | Unchecked | EC50 | 502.0 | nM | None |
| None | Unchecked | EC50 | 569.0 | nM | None |
| None | Unchecked | EC50 | 1032.0 | nM | None |
| None | Unchecked | EC50 | 7751.0 | nM | None |
| None | Unchecked | EC50 | 19940.0 | nM | None |
| None | Unchecked | EC50 | 350000.0 | nM | None |
| None | Unchecked | IC50 | 79000.0 | nM | None |
| None | Unchecked | IC50 | 118489.0 | nM | None |
| None | Unchecked | IFI | 12.5 | % | 10.1073/pnas.0802982105 |
| None | Unchecked | Potency | 1000.0 | nM | None |
| None | Unchecked | Potency | 1584.9 | nM | None |
| None | Unchecked | Potency | 2592.9 | nM | None |
| None | Unchecked | Potency | 2818.4 | nM | None |
| None | Unchecked | Potency | 3548.1 | nM | None |
| None | Unchecked | Potency | 5011.9 | nM | None |
| None | Unchecked | Potency | 10000.0 | nM | None |