Azepinomycin
AlkaPlorer ID: AK041097
Synonym: 4,5,6,7-Tetrahydro-6-hydroxyimidazo[4,5-e][1,4]diazepin-8(1H)-one
IUPAC Name: 6-hydroxy-4,5,6,7-tetrahydro-1H-imidazo[4,5-e][1,4]diazepin-8-one
Structure
SMILES: OC1=NC(O)CNC2=C1N=CN2
InChI: InChI=1S/C6H8N4O2/c11-3-1-7-5-4(6(12)10-3)8-2-9-5/h2-3,7,11H,1H2,(H,8,9)(H,10,12)
InChIKey: HCLYCONTUAROEE-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 168.156
TPSA？: 93.53
MolLogP？: -0.5418000000000001
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Guanine deaminase | IC50 | 5000.0 | nM | 10.1016/j.bmcl.2012.09.053 |
| None | Unchecked | Ki | 2500.0 | nM | 10.1016/j.bmc.2013.06.069 |
| None | Unchecked | Ki | 2500.0 | nM | 10.1016/j.bmcl.2012.09.053 |