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Compound Detail

CHEMBL453867

PSICOFURANINE
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Nc1ncnc2c1ncn2[C@]1(CO)O[C@H](CO)[C@@H](O)[C@H]1O

Basic Information

ChEMBL ID CHEMBL453867
Name PSICOFURANINE
Phase Preclinical
Structure Type MOL
InChI Key BNZYRKVSCLSXSJ-IOSLPCCCSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

297.3
MW (Da)
-2.83
ALogP
10
HBA
5
HBD
159.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H15N5O5
MW 297.27
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 1.02

Activity Summary

IC50 2 meas. best 4.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GMP synthase [glutamine-hydrolyzing]
CHEMBL5721
IC50 4.76 4.76 17300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
GMP synthase [glutamine-hydrolyzing] IC50 = 17300.0 nM 4.76 Inhibition of human GMP synthase 30964283

Literature References

PubMed DOI Target Context # Activities
30964283 10.1021/acs.jmedchem.9b00182 GMP synthase [glutamine-hydrolyzing] 2
18834112 10.1021/jm800656v Amine oxidase [flavin-containing] A 1
30964283 10.1021/acs.jmedchem.9b00182 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine