8-sec-Butylamino-7-(4-fluoro-benzyl)-3-methyl-3,7-dihydro-purine-2,6-dione
AlkaPlorer ID: AK341319
Synonym: None
IUPAC Name: 8-(butan-2-ylamino)-7-[(4-fluorophenyl)methyl]-3-methylpurine-2,6-dione
Structure
SMILES: CCC(C)NC1=NC2=C(C(=O)NC(=O)N2C)N1CC1=CC=C(F)C=C1
InChI: InChI=1S/C17H20FN5O2/c1-4-10(2)19-16-20-14-13(15(24)21-17(25)22(14)3)23(16)9-11-5-7-12(18)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,19,20)(H,21,24,25)
InChIKey: BEFKOTBCCFMNAT-UHFFFAOYSA-N
Reference
Isoprenylated Chromone Derivatives from the Plant Endophytic Fungus <i>Pestalotiopsis fici</i>
PubChem CID: 3147905
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 345.37800000000004
TPSA？: 84.71000000000001
MolLogP？: 1.8211
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli K-12 | Beta-lactamase AmpC | Potency | 35481.3 | nM | None |
| Homo sapiens | Cellular tumor antigen p53 | Potency | 10.0 | nM | None |
| Homo sapiens | DNA polymerase iota | Potency | 79432.8 | nM | None |
| Homo sapiens | Glucagon-like peptide 1 receptor | Potency | 19952.6 | nM | None |
| Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic | Potency | 70794.6 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 11582.1 | nM | None |