Antibiotic C 1778B; Deoxy
AlkaPlorer ID: AK288312
Synonym: Antibiotic C 1778C, 7-(Carboxybutanamido)deacetoxycephalosporanic acid, C 1778C
IUPAC Name: 7-(4-carboxybutanoylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Structure
SMILES: CC1=C(C(=O)O)N2C(=O)C(N=C(O)CCCC(=O)O)C2SC1
InChI: InChI=1S/C13H16N2O6S/c1-6-5-22-12-9(11(19)15(12)10(6)13(20)21)14-7(16)3-2-4-8(17)18/h9,12H,2-5H2,1H3,(H,14,16)(H,17,18)(H,20,21)
InChIKey: KFAZOAVBYQAACA-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Cephalosporium | None | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 328.346
TPSA？: 127.5
MolLogP？: 0.8400999999999998
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase | Potency | 794.3 | nM | None |
| Homo sapiens | DNA polymerase iota | Potency | 89125.1 | nM | None |
| Homo sapiens | Serine/threonine-protein kinase PLK1 | Potency | 23778.1 | nM | None |
| Homo sapiens | Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 | IC50 | 50000.0 | nM | None |
| Homo sapiens | Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 | IC50 | 56800.0 | nM | None |
| Human immunodeficiency virus 1 | Aberrant vpr protein | Potency | 12589.3 | nM | None |
| None | Unchecked | Potency | 5623.4 | nM | None |
| None | Unchecked | Potency | 44668.4 | nM | None |