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Compound Detail

CHEMBL1232777

FORMYCIN B
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O=c1[nH]cnc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)n[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1232777
Name FORMYCIN B
Phase Preclinical
Structure Type MOL
InChI Key MTCJZZBQNCXKAP-KSYZLYKTSA-N
4
Targets
9
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

268.2
MW (Da)
-2.20
ALogP
7
HBA
5
HBD
144.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H12N4O5
MW 268.23
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.88

Activity Summary

IC50 9 meas. best 8.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma brucei brucei
CHEMBL612851
 IC50 8.5 8.4 3.2 2
Trypanosoma cruzi
CHEMBL368
 IC50 6.85 6.55 141.2 3
Leishmania donovani
CHEMBL367
 IC50 6.4 6.1667 398.1 3
Influenza A virus
CHEMBL613740
 IC50 5.44 5.44 3629.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma brucei brucei IC50 = 3.162 nM 8.5 GSK_TCAKS: pIC50 Trypanosoma brucei viability assay using fluorescence intensity... -
Trypanosoma brucei brucei IC50 = 5.012 nM 8.3 GSK_TCAKS: pIC50 Trypanosoma brucei viability assay using luminiscence. Assay pl... -
Trypanosoma cruzi IC50 = 141.25 nM 6.85 GSK_TCAKS: pIC50 Trypanosoma cruzi viability assay using beta-GAL activity. This... -
Trypanosoma cruzi IC50 = 316.23 nM 6.5 GSK_TCAKS: pIC50 Trypanosoma cruzi Imaging: Amastigotes/Cell. H9c2 cells were se... -
Leishmania donovani IC50 = 398.11 nM 6.4 GSK_TCAKS: pIC50 Leishmania donovani Imaging: Amastigotes/Macrophages. Assay pla... -
Leishmania donovani IC50 = 398.11 nM 6.4 GSK_TCAKS: pIC50 Leishmania donovani viability assay using fluorescence intensit... -
Trypanosoma cruzi IC50 = 501.19 nM 6.3 GSK_TCAKS: pIC50 Trypanosoma cruzi Imaging: Infected Cells. H9c2 cells were seed... -
Leishmania donovani IC50 = 1995.26 nM 5.7 GSK_TCAKS: pIC50 Leishmania donovani Imaging: Infected Macrophages. Assay plates... -
Influenza A virus IC50 = 3629.0 nM 5.44 Antiviral activity against Influenza A virus A/WSN/33(H1N1) infected in dog MDCK... 35092894

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3430912 Leishmania donovani 4
- 10.6019/CHEMBL3430912 Trypanosoma cruzi 4
- 10.6019/CHEMBL3430912 Trypanosoma brucei brucei 2
- 10.6019/CHEMBL3430912 HepG2 1
- 10.6019/CHEMBL3430912 NIH3T3 1
- 10.6019/CHEMBL3430912 Sterol 14-alpha demethylase 1
35092894 10.1016/j.bmc.2022.116613 Influenza A virus 1
35092894 10.1016/j.bmc.2022.116613 MDCK 1
38701712 10.1016/j.ejmech.2024.116437 Purine nucleoside phosphorylase 1

Data from ChEMBL 36 via Core Engine