2-Methyl-4(3H)-quinazolinone
AlkaPlorer ID: AK006918
Synonym: None
IUPAC Name: 2-methyl-3H-quinazolin-4-one
Structure
SMILES: CC1=NC2=CC=CC=C2C(=O)N1
InChI: InChI=1S/C9H8N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5H,1H3,(H,10,11,12)
InChIKey: FIEYHAAMDAPVCH-UHFFFAOYSA-N
Reference
Antifungal quinazolinones from marine-derived Bacillus cereus and their preparation
Quinazolin-4-one Derivatives from <i>Streptomyces</i> Isolates
PubChem CID: 135400457
CAS: 1769-24-0
LOTUS: LTS0048008
COCONUT: CNP0141617
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bacillus cereus | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
| Tetradium ruticarpum | Tetradium | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Isatis tinctoria | Isatis | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Bacillus cereus | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | Bacillati | Bacteria |
Properties Information
Molecule Weight: 160.17599999999996
TPSA？: 45.75
MolLogP？: 1.23152
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC | 15600.0 | nM | 10.1016/j.bmcl.2011.05.002 |
| Chlorella vulgaris | Chlorella vulgaris | Activity | nan | None | 10.1016/j.bmc.2006.11.020 |
| Homo sapiens | 786-0 | GI50 | 100000.0 | nM | None |
| Homo sapiens | A498 | GI50 | 100000.0 | nM | None |
| Homo sapiens | A549 | GI50 | 100000.0 | nM | None |
| Homo sapiens | ACHN | GI50 | 100000.0 | nM | None |
| Homo sapiens | CCRF-CEM | GI50 | 100000.0 | nM | None |
| Homo sapiens | Chromobox protein homolog 1 | Potency | 79432.8 | nM | None |
| Homo sapiens | COLO 205 | GI50 | 100000.0 | nM | None |
| Homo sapiens | DLD-1 | GI50 | 100000.0 | nM | None |
| Homo sapiens | DMS-114 | GI50 | 100000.0 | nM | None |
| Homo sapiens | EKVX | GI50 | 100000.0 | nM | None |
| Homo sapiens | HCC 2998 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HCT-15 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HL-60 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HOP-18 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HOP-62 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HT-29 | GI50 | 100000.0 | nM | None |
| Homo sapiens | IGROV-1 | GI50 | 100000.0 | nM | None |
| Homo sapiens | K562 | GI50 | 100000.0 | nM | None |
| Homo sapiens | KM12 | GI50 | 100000.0 | nM | None |
| Homo sapiens | KM-20L2 | GI50 | 100000.0 | nM | None |
| Homo sapiens | LOX IMVI | GI50 | 100000.0 | nM | None |
| Homo sapiens | LXFL 529 | GI50 | 100000.0 | nM | None |
| Homo sapiens | M14 | GI50 | 100000.0 | nM | None |
| Homo sapiens | M19-MEL | GI50 | 100000.0 | nM | None |
| Homo sapiens | Malme-3M | GI50 | 100000.0 | nM | None |
| Homo sapiens | MOLT-4 | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H226 | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H522 | GI50 | 100000.0 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 100000.0 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 100000.0 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 100000.0 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 100000.0 | nM | None |
| Homo sapiens | Phosphodiesterase 10A | Ki | 990000.0 | nM | 10.1021/acs.jmedchem.5b01813 |
| Homo sapiens | Poly [ADP-ribose] polymerase-1 | IC50 | 1210.0 | nM | 10.1016/j.ejmech.2012.02.001 |
| Homo sapiens | Poly [ADP-ribose] polymerase-1 | IC50 | 5600.0 | nM | 10.1021/jm010116l |
| Homo sapiens | Poly [ADP-ribose] polymerase-1 | Inhibition | 60.0 | % | 10.1016/j.ejmech.2012.02.001 |
| Homo sapiens | RPMI-8226 | GI50 | 100000.0 | nM | None |
| Homo sapiens | RXF 393 | GI50 | 100000.0 | nM | None |
| Homo sapiens | RXF 631 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SF-268 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SF-295 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SF-539 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SK-MEL-2 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SK-N-MC | IC50 | 6250.0 | nM | 10.1016/j.bmc.2006.11.020 |
| Homo sapiens | SK-OV-3 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SN12C | GI50 | 100000.0 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 37068.07 | nM | None |
| Homo sapiens | SNB-78 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SW-620 | GI50 | 100000.0 | nM | None |
| Homo sapiens | TK-10 | GI50 | 100000.0 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 8199.5 | nM | None |
| Homo sapiens | U-251 | GI50 | 100000.0 | nM | None |
| Homo sapiens | UACC-257 | GI50 | 100000.0 | nM | None |
| Homo sapiens | UACC-62 | GI50 | 100000.0 | nM | None |
| Homo sapiens | UO-31 | GI50 | 100000.0 | nM | None |
| Homo sapiens | XF498 | GI50 | 100000.0 | nM | None |
| Rattus norvegicus | H9c2 | IC50 | 79000.0 | nM | None |
| None | No relevant target | log K | 0.1515 | None | 10.1016/j.bmc.2006.11.020 |
| None | Unchecked | Activity | nan | None | 10.1016/j.bmc.2006.11.020 |
| None | Unchecked | IC50 | 5000.0 | nM | 10.1016/j.bmcl.2016.09.054 |
| None | Unchecked | IC50 | 79000.0 | nM | None |
| None | Unchecked | Potency | 461.1 | nM | None |