Molecule

Formycin B

AlkaPlorer ID: AK002252

Synonym: 'Ohyamycin', 'Laurusin\nOhyamycin\nFORMYCIN B\nFormycin B\nD-Ribitol, 1,4-anhydro-1-C-(6,7-dihydro-7-oxo-1H-pyrazolo4,3-dpyrimidin-3-yl)-, (S)-\n7H-Pyrazolo4,3-dpyrimidin-7-one, 1,4-dihydro-3-.beta.-D-ribofuranosyl-\n7H-Pyrazolo4,3-dpyrimidin-7-one, 1,4-dihydro-3-.beta.-D-ribofuranosyl-', 'Formycin B', 'NSC 106486', 'Laurusin'

IUPAC Name: 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

Structure

SMILES: O=C1NC=NC2=C([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)NN=C12

InChI: InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2,(H,13,14)(H,11,12,18)/t3-,7-,8-,9+/m1/s1

InChIKey: MTCJZZBQNCXKAP-KSYZLYKTSA-N

Reference

Direct broth assay for sparsomycin and related nucleoside antitumor antibiotics using reversed-phase high-performance liquid chromatography

PubChem CID: 135449281

CAS: 13877-76-4

LOTUS: LTS0249864

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Streptomyces sparsogenes	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 268.22900000000004

TPSA？: 144.35000000000002

MolLogP？: -2.1998

Number of H-Donors: 5

Number of H-Acceptors: 7

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Canis lupus familiaris	MDCK	CC50	68000.0	nM	10.1016/j.bmc.2022.116613
Homo sapiens	HepG2	IC50	100000.0	nM	10.6019/CHEMBL3430912
Influenza A virus	Influenza A virus	IC50	3629.0	nM	10.1016/j.bmc.2022.116613
Leishmania donovani	Leishmania donovani	IC50	398.11	nM	10.6019/CHEMBL3430912
Leishmania donovani	Leishmania donovani	IC50	1995.26	nM	10.6019/CHEMBL3430912
Leishmania donovani	Leishmania donovani	IC50	50118.72	nM	10.6019/CHEMBL3430912
Mus musculus	NIH3T3	IC50	50118.72	nM	10.6019/CHEMBL3430912
Trypanosoma brucei brucei	Trypanosoma brucei brucei	IC50	3.162	nM	10.6019/CHEMBL3430912
Trypanosoma brucei brucei	Trypanosoma brucei brucei	IC50	5.012	nM	10.6019/CHEMBL3430912
Trypanosoma cruzi	Trypanosoma cruzi	IC50	141.25	nM	10.6019/CHEMBL3430912
Trypanosoma cruzi	Trypanosoma cruzi	IC50	316.23	nM	10.6019/CHEMBL3430912
Trypanosoma cruzi	Trypanosoma cruzi	IC50	501.19	nM	10.6019/CHEMBL3430912
Trypanosoma cruzi	Trypanosoma cruzi	IC50	50118.72	nM	10.6019/CHEMBL3430912
Trypanosoma cruzi (strain CL Brener)	Sterol 14-alpha demethylase	IC50	100000.0	nM	10.6019/CHEMBL3430912

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT024799	O=c1nc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)n[nH]c2c(O)[nH]1>>O=c1nc[nH]c2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)n[nH]c12	MNXR130902