9-(4-Hydroxybutyl)-N2-phenylguanine
AlkaPlorer ID: AK421133
Synonym: None
IUPAC Name: 2-anilino-9-(4-hydroxybutyl)-1H-purin-6-one
Structure
SMILES: OCCCCN1C=NC2=C1NC(=NC1=CC=CC=C1)N=C2O
InChI: InChI=1S/C15H17N5O2/c21-9-5-4-8-20-10-16-12-13(20)18-15(19-14(12)22)17-11-6-2-1-3-7-11/h1-3,6-7,10,21H,4-5,8-9H2,(H2,17,18,19,22)
InChIKey: JHBXNPBKSPYOFT-UHFFFAOYSA-N
Reference
A bactericidal product obtained from a mutant of escherichia coli
PubChem CID: 135415618
CAS: 161363-19-5
LOTUS: LTS0095923
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Escherichia coli | Escherichia | Enterobacteriaceae | Enterobacterales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 299.33400000000006
TPSA？: 99.32
MolLogP？: 1.4698999999999998
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus sabaeus | Vero | CC50 | 660000.0 | nM | 10.1128/aac.01284-06 |
| Homo sapiens | Thymidine kinase, cytosolic | Ki | 50.0 | nM | 10.1021/jm00001a010 |
| Human alphaherpesvirus 1 | Human alphaherpesvirus 1 | EC50 | 330000.0 | nM | 10.1128/aac.01284-06 |
| Human herpesvirus 1 | Thymidine kinase | IC50 | 160.0 | nM | 10.1021/jm00001a010 |
| Human herpesvirus 1 (strain SC16) (HHV-1) (Human herpes simplex virus1) | Thymidine kinase | IC50 | 1300.0 | nM | 10.1021/jm049059x |
| Human herpesvirus 2 | Thymidine kinase | IC50 | 500.0 | nM | 10.1021/jm049059x |
| Human herpesvirus 2 | Thymidine kinase | IC50 | 2150.0 | nM | 10.1021/jm00001a010 |
| Macacine alphaherpesvirus 1 | Macacine alphaherpesvirus 1 | EC50 | 330000.0 | nM | 10.1128/aac.01284-06 |
| Macacine alphaherpesvirus 1 | Macacine alphaherpesvirus 1 | EC50 | nan | None | 10.1128/aac.01284-06 |
| Macacine herpesvirus 1 | Thymidine kinase | Activity | 200.0 | % | 10.1128/aac.01284-06 |
| Macacine herpesvirus 1 | Thymidine kinase | IC50 | 11500.0 | nM | 10.1128/aac.01284-06 |
| Macacine herpesvirus 1 | Thymidine kinase | Km | 7400.0 | nM | 10.1128/aac.01284-06 |
| Macacine herpesvirus 1 | Thymidine kinase | Ratio | 0.52 | None | 10.1128/aac.01284-06 |
| Macacine herpesvirus 1 | Thymidine kinase | Vmax | 3.9 | nmol/hr/microg | 10.1128/aac.01284-06 |
| Mus musculus | Mus musculus | Activity | 3.0 | None | 10.1021/jm049059x |
| Mus musculus | Mus musculus | Activity | 4.0 | None | 10.1021/jm049059x |
| Mus musculus | Mus musculus | Activity | 6.0 | None | 10.1021/jm049059x |
| Mus musculus | Mus musculus | Activity | 9.0 | None | 10.1021/jm049059x |
| Mus musculus | Mus musculus | Activity | 9.5 | None | 10.1021/jm049059x |
| Mus musculus | Mus musculus | Activity | 10.0 | None | 10.1021/jm049059x |
| Mus musculus | Mus musculus | Activity | 11.0 | None | 10.1021/jm049059x |
| Mus musculus | Mus musculus | Activity | 11.8 | None | 10.1021/jm049059x |
| Mus musculus | Mus musculus | Activity | 15.7 | None | 10.1021/jm049059x |
| Mus musculus | Mus musculus | Activity | 18.0 | None | 10.1021/jm049059x |
| Mus musculus | Mus musculus | Co | 30.5 | uM | 10.1021/jm00001a010 |
| Mus musculus | Mus musculus | Co | 49.5 | uM | 10.1021/jm00001a010 |
| Mus musculus | Mus musculus | T1/2 | 0.2333 | hr | 10.1021/jm00001a010 |
| Mus musculus | Mus musculus | T1/2 | 1.25 | hr | 10.1021/jm00001a010 |
| Mus musculus | Mus musculus | Vd | 2.7 | L.kg-1 | 10.1021/jm00001a010 |