2-Methylpropanoic acid; Amide
AlkaPlorer ID: AK001890
Synonym: Isobutyramide
IUPAC Name: 2-methylpropanamide
Structure
SMILES: CC(C)C(=N)O
InChI: InChI=1S/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)
InChIKey: WFKAJVHLWXSISD-UHFFFAOYSA-N
Reference
Quinazolin-4-one Derivatives from <i>Streptomyces</i> Isolates
PubChem CID: 58475037
CAS: 563-83-7
LOTUS: LTS0238562
COCONUT: CNP0226996
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Otanthus maritimus | Otanthus | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 87.12199999999999
TPSA？: 44.08
MolLogP？: 1.17767
Number of H-Donors: 2
Number of H-Acceptors: 1
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Equus caballus | Alcohol dehydrogenase | Ki | 169824.37 | nM | 10.1021/jm00155a005 |
| Equus caballus | Alcohol dehydrogenase | Ki | 220000.0 | nM | 10.1021/jm00360a024 |
| Homo sapiens | 786-0 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | A549 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | ACHN | GI50 | 5000345.35 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | CCRF-CEM | GI50 | 5000345.35 | nM | None |
| Homo sapiens | COLO 205 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | DLD-1 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | DMS-114 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | DMS-273 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | HCT-15 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | Histone deacetylase 6 | Inhibition | -10.52 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | Histone deacetylase 6 | Inhibition | 26.49 | % | 10.6019/CHEMBL4808148 |
| Homo sapiens | HL-60 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | HOP-18 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | HOP-62 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | HT-29 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | IGROV-1 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | K562 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | KM12 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | LOX IMVI | GI50 | 5000345.35 | nM | None |
| Homo sapiens | LXFL 529 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | M14 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | M19-MEL | GI50 | 5000345.35 | nM | None |
| Homo sapiens | Malme-3M | GI50 | 5000345.35 | nM | None |
| Homo sapiens | MOLT-4 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | NCI-H226 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 5000345.35 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | NCI-H522 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | RPMI-8226 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | RXF 393 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | SF-268 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | SF-295 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | SF-539 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | SK-MEL-2 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | SK-OV-3 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | SN12C | GI50 | 5000345.35 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | SNB-78 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | SR | GI50 | 5000345.35 | nM | None |
| Homo sapiens | SW-620 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | TK-10 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | U-251 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | UACC-257 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | UACC-62 | GI50 | 5000345.35 | nM | None |
| Homo sapiens | UO-31 | GI50 | 5000345.35 | nM | None |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | -110.63 | % | 10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | 4.765 | % | 10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 0.06 | % | 10.6019/CHEMBL4495565 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 0.76 | % | 10.6019/CHEMBL4495565 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 2.45 | % | 10.21203/rs.3.rs-23951/v1 |
| None | No relevant target | LogP | -0.39 | None | 10.1021/jm00155a005 |
| None | Unchecked | Inhibition | 36.0 | % | 10.1021/jm00360a024 |