formycin
AlkaPlorer ID: AK010053
Synonym: 'Formycin', '8-Aza-9-deazaadenosine', 'NSC 102811', 'Formycin A'
IUPAC Name: (2S,3R,4S,5R)-2-(7-amino-2H-pyrazolo[4,3-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Structure
SMILES: NC1=NC=NC2=C([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)NN=C12
InChI: InChI=1S/C10H13N5O4/c11-10-6-4(12-2-13-10)5(14-15-6)9-8(18)7(17)3(1-16)19-9/h2-3,7-9,16-18H,1H2,(H,14,15)(H2,11,12,13)/t3-,7-,8-,9+/m1/s1
InChIKey: KBHMEHLJSZMEMI-KSYZLYKTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces lavendulae | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 267.245
TPSA？: 150.40000000000003
MolLogP？: -1.9109000000000007
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | Adenosine deaminase | Km | 500000.0 | nM | 10.1021/jm00149a033 |
| Bos taurus | Adenosine deaminase | Vmax | 4000.0 | M min-1 mg-1 | 10.1021/jm00149a033 |
| Canis lupus familiaris | MDCK | CC50 | 2600.0 | nM | 10.1016/j.bmc.2022.116613 |
| Chlorocebus sabaeus | Vero | MTC | 10.0 | ug ml-1 | 10.1021/jm00386a007 |
| Coxsackievirus B4 | Coxsackievirus B4 | MIC | 40.0 | ug.mL-1 | 10.1021/jm00373a020 |
| Coxsackievirus B4 | Coxsackievirus B4 | MIC | 200.0 | ug.mL-1 | 10.1021/jm00373a020 |
| Coxsackievirus B4 | Coxsackievirus B4 | MIC50 | 1.0 | ug.mL-1 | 10.1021/jm00386a007 |
| Coxsackievirus B4 | Coxsackievirus B4 | MIC50 | 10.0 | ug.mL-1 | 10.1021/jm00386a007 |
| Homo sapiens | CCRF-CEM | ID50 | 6.1 | uM | 10.1021/jm00161a017 |
| Homo sapiens | HeLa | MTC | 1.0 | ug ml-1 | 10.1021/jm00386a007 |
| Homo sapiens | Purine nucleoside phosphorylase | Activity | 0.0 | % | 10.1021/jm00207a008 |
| Human adenovirus 2 | Human adenovirus 2 | Rating | 0.0 | None | 10.1021/jm00124a005 |
| Human alphaherpesvirus 1 | Human alphaherpesvirus 1 | MIC | 4.0 | ug.mL-1 | 10.1021/jm00373a020 |
| Human alphaherpesvirus 1 | Human alphaherpesvirus 1 | MIC50 | 10.0 | ug.mL-1 | 10.1021/jm00386a007 |
| Human alphaherpesvirus 2 | Human alphaherpesvirus 2 | MIC | 4.0 | ug.mL-1 | 10.1021/jm00373a020 |
| Human alphaherpesvirus 2 | Human alphaherpesvirus 2 | MIC50 | 8.0 | ug.mL-1 | 10.1021/jm00386a007 |
| Human alphaherpesvirus 2 | Human alphaherpesvirus 2 | Rating | 0.2 | None | 10.1021/jm00124a005 |
| Human respirovirus 3 | Human respirovirus 3 | MIC | 40.0 | ug.mL-1 | 10.1021/jm00373a020 |
| Human respirovirus 3 | Human respirovirus 3 | MIC50 | 2.0 | ug.mL-1 | 10.1021/jm00386a007 |
| Human respirovirus 3 | Human respirovirus 3 | Rating | 1.4 | None | 10.1021/jm00124a005 |
| Human rhinovirus 1A | Human rhinovirus 1A | Rating | 0.1 | None | 10.1021/jm00124a005 |
| Influenza A virus | Influenza A virus | IC50 | 29.0 | nM | 10.1016/j.bmc.2022.116613 |
| Mammalian orthoreovirus 1 | Mammalian orthoreovirus 1 | MIC | 40.0 | ug.mL-1 | 10.1021/jm00373a020 |
| Mammalian orthoreovirus 1 | Mammalian orthoreovirus 1 | MIC50 | 10.0 | ug.mL-1 | 10.1021/jm00386a007 |
| Measles morbillivirus | Measles morbillivirus | MIC | 40.0 | ug.mL-1 | 10.1021/jm00373a020 |
| Measles morbillivirus | Measles morbillivirus | MIC50 | 10.0 | ug.mL-1 | 10.1021/jm00386a007 |
| Mus musculus | L1210 | IC50 | 1000.0 | nM | 10.1021/jm00149a033 |
| Mus musculus | L1210 | ID50 | 27.6 | uM | 10.1021/jm00161a017 |
| Mus musculus | L1210 | MIC50 | 3.7 | ug.mL-1 | 10.1021/jm00386a007 |
| Mus musculus | L1210 | MIC50 | 5.5 | ug.mL-1 | 10.1021/jm00386a007 |
| Mus musculus | L1210 | MIC50 | 7.5 | ug.mL-1 | 10.1021/jm00386a007 |
| Mus musculus | L1210 | MIC50 | 25.7 | ug.mL-1 | 10.1021/jm00386a007 |
| Mus musculus | Monoamine oxidase A | Activity | nan | None | 10.1021/jm800656v |
| Mus musculus | Monoamine oxidase B | Activity | nan | None | 10.1021/jm800656v |
| Oryctolagus cuniculus | Oryctolagus cuniculus | MTC | 20.0 | ug ml-1 | 10.1021/jm00386a007 |
| Poliovirus 1 | Poliovirus 1 | MIC | 10.0 | ug.mL-1 | 10.1021/jm00373a020 |
| Poliovirus 1 | Poliovirus 1 | MIC50 | 1.0 | ug.mL-1 | 10.1021/jm00386a007 |
| Sindbis virus | Sindbis virus | MIC | 40.0 | ug.mL-1 | 10.1021/jm00373a020 |
| Sindbis virus | Sindbis virus | MIC50 | 10.0 | ug.mL-1 | 10.1021/jm00386a007 |
| Vaccinia virus | Vaccinia virus | MIC | 4.0 | ug.mL-1 | 10.1021/jm00373a020 |
| Vaccinia virus | Vaccinia virus | MIC50 | 7.0 | ug.mL-1 | 10.1021/jm00386a007 |
| Vesicular stomatitis virus | Vesicular stomatitis virus | MIC | 2.0 | ug.mL-1 | 10.1021/jm00373a020 |
| Vesicular stomatitis virus | Vesicular stomatitis virus | MIC | 10.0 | ug.mL-1 | 10.1021/jm00373a020 |
| Vesicular stomatitis virus | Vesicular stomatitis virus | MIC50 | 1.0 | ug.mL-1 | 10.1021/jm00386a007 |
| Vesicular stomatitis virus | Vesicular stomatitis virus | MIC50 | 10.0 | ug.mL-1 | 10.1021/jm00386a007 |
| None | NON-PROTEIN TARGET | ID50 | 6.2 | uM | 10.1021/jm00161a017 |
| None | Unchecked | IC50 | 2300.0 | nM | 10.1021/jm00146a020 |
| None | Unchecked | IC50 | 9300.0 | nM | 10.1021/jm00146a020 |
| None | Unchecked | MPR | 0.043 | None | 10.1021/jm00373a020 |
| None | Unchecked | Ratio | 8.0 | None | 10.1021/jm00149a033 |