90417-38-2
AlkaPlorer ID: AK008364
Synonym: '8-Hydroxy-2-methylquinazolin-4(3H)-one'
IUPAC Name: 8-hydroxy-2-methyl-3H-quinazolin-4-one
Structure
SMILES: CC1=NC(O)=C2C=CC=C(O)C2=N1
InChI: InChI=1S/C9H8N2O2/c1-5-10-8-6(9(13)11-5)3-2-4-7(8)12/h2-4,12H,1H3,(H,10,11,13)
InChIKey: YJDAOHJWLUNFLX-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 176.17499999999995
TPSA？: 66.24000000000001
MolLogP？: 1.3494199999999998
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus anthracis | Anthrax lethal factor | Potency | 12589.3 | nM | None |
| Bacillus subtilis | 4'-phosphopantetheinyl transferase ffp | Potency | 56234.1 | nM | None |
| Homo sapiens | 786-0 | GI50 | 1000000.0 | nM | None |
| Homo sapiens | A498 | GI50 | 418793.57 | nM | None |
| Homo sapiens | A549 | GI50 | 359749.34 | nM | None |
| Homo sapiens | ACHN | GI50 | 347536.16 | nM | None |
| Homo sapiens | BT-549 | GI50 | 173780.08 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 255858.59 | nM | None |
| Homo sapiens | CCRF-CEM | GI50 | 305492.11 | nM | None |
| Homo sapiens | Cytochrome P450 1A2 | AC50 | 15848.93 | nM | None |
| Homo sapiens | Cytochrome P450 2C19 | AC50 | 398.11 | nM | None |
| Homo sapiens | Cytochrome P450 2C19 | Potency | 398.1 | nM | None |
| Homo sapiens | Cytochrome P450 2C9 | AC50 | 3981.07 | nM | None |
| Homo sapiens | Cytochrome P450 2C9 | Potency | 3981.1 | nM | None |
| Homo sapiens | Cytochrome P450 2D6 | AC50 | 12589.25 | nM | None |
| Homo sapiens | Cytochrome P450 2D6 | Potency | 12589.3 | nM | None |
| Homo sapiens | Cytochrome P450 3A4 | AC50 | nan | None | None |
| Homo sapiens | EKVX | GI50 | 456036.92 | nM | None |
| Homo sapiens | HCC 2998 | GI50 | 417830.37 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 341192.91 | nM | None |
| Homo sapiens | HCT-15 | GI50 | 270395.84 | nM | None |
| Homo sapiens | Histone deacetylase 6 | Inhibition | -0.56 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | 0.32 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | HL-60 | GI50 | 174180.69 | nM | None |
| Homo sapiens | HOP-62 | GI50 | 436515.83 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 845278.85 | nM | None |
| Homo sapiens | Hs-578T | GI50 | 572796.03 | nM | None |
| Homo sapiens | HT-29 | GI50 | 345143.74 | nM | None |
| Homo sapiens | IGROV-1 | GI50 | 404575.89 | nM | None |
| Homo sapiens | K562 | GI50 | 358921.93 | nM | None |
| Homo sapiens | KM12 | GI50 | 331894.46 | nM | None |
| Homo sapiens | LOX IMVI | GI50 | 485288.5 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 12589.3 | nM | None |
| Homo sapiens | M14 | GI50 | 610942.02 | nM | None |
| Homo sapiens | Malme-3M | GI50 | 597035.29 | nM | None |
| Homo sapiens | MCF7 | GI50 | 620869.03 | nM | None |
| Homo sapiens | MDA-MB-435 | GI50 | 883079.9 | nM | None |
| Homo sapiens | MDA-N | GI50 | 503500.61 | nM | None |
| Homo sapiens | MOLT-4 | GI50 | 338844.16 | nM | None |
| Homo sapiens | NCI/ADR-RES | GI50 | 548276.96 | nM | None |
| Homo sapiens | NCI-H226 | GI50 | 202768.27 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 302691.34 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 877000.82 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 263026.8 | nM | None |
| Homo sapiens | NCI-H522 | GI50 | 355631.32 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 542000.89 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 399024.9 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 381944.27 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 436515.83 | nM | None |
| Homo sapiens | PC-3 | GI50 | 450816.7 | nM | None |
| Homo sapiens | Poly [ADP-ribose] polymerase-1 | Ki | 48.0 | nM | 10.1016/j.ejmech.2019.01.024 |
| Homo sapiens | Poly [ADP-ribose] polymerase-1 | Ki | 52.0 | nM | 10.1021/jm030513r |
| Homo sapiens | RPMI-8226 | GI50 | 135207.26 | nM | None |
| Homo sapiens | RXF 393 | GI50 | 157761.13 | nM | None |
| Homo sapiens | SF-268 | GI50 | 466659.38 | nM | None |
| Homo sapiens | SF-295 | GI50 | 350751.87 | nM | None |
| Homo sapiens | SF-539 | GI50 | 354813.39 | nM | None |
| Homo sapiens | SK-MEL-2 | GI50 | 1000000.0 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 1000000.0 | nM | None |
| Homo sapiens | SK-OV-3 | GI50 | 348337.32 | nM | None |
| Homo sapiens | SN12C | GI50 | 532108.26 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 669884.61 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 232809.13 | nM | None |
| Homo sapiens | SR | GI50 | 114024.98 | nM | None |
| Homo sapiens | SW-620 | GI50 | 1000000.0 | nM | None |
| Homo sapiens | TK-10 | GI50 | 301995.17 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 18837.5 | nM | None |
| Homo sapiens | U-251 | GI50 | 669884.61 | nM | None |
| Homo sapiens | UACC-257 | GI50 | 554625.71 | nM | None |
| Homo sapiens | UACC-62 | GI50 | 232273.68 | nM | None |
| Homo sapiens | UO-31 | GI50 | 282488.0 | nM | None |
| Mus musculus | L1210 | Activity | 90.0 | % | 10.1021/jm100012m |
| Mus musculus | Poly [ADP-ribose] polymerase-1 | IC50 | 400.0 | nM | 10.1021/jm980273t |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | 23.08 | % | 10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 0.03 | % | 10.6019/CHEMBL4495565 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 14.42 | % | 10.21203/rs.3.rs-23951/v1 |
| None | Unchecked | Delta Tm | 0.0 | degrees C | 10.1021/acs.jmedchem.6b01563 |
| None | Unchecked | Delta Tm | 1.1 | degrees C | 10.1021/acs.jmedchem.6b01563 |
| None | Unchecked | Delta Tm | 2.4 | degrees C | 10.1021/acs.jmedchem.6b01563 |
| None | Unchecked | IC50 | 400.0 | nM | 10.1021/jm010116l |