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Compound Detail

CHEMBL550755

FORODESINE HYDROCHLORIDE
💊 Approved Drug
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💊 Approved Drug
Cl.O=c1[nH]cnc2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c[nH]c12

Basic Information

ChEMBL ID CHEMBL550755
Name FORODESINE HYDROCHLORIDE
Phase Approved
Structure Type MOL
InChI Key WEIAMZKHBCLFOG-QPAIBFMUSA-N
Parent Compound CHEMBL218291
Active Moiety CHEMBL218291

Known Names

BCX-1777 Forodesine hcl Forodesine hydrochloride
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
3
Known Names
5
Indications
1
Mechanisms

Molecular Properties

266.3
MW (Da)
-2.02
ALogP
6
HBA
6
HBD
134.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2017
Availability Unknown
Chirality Single Enantiomer
USAN Year 2000

Extended Properties

Molecular Formula C11H15ClN4O4
MW 302.72
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 1.06

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Purine nucleoside phosphorylase inhibitor INHIBITOR Purine nucleoside phosphorylase

Indications

Leukemia, Lymphocytic, Chronic, B-Cell Leukemia, Lymphoid Lymphoma Lymphoma, T-Cell, Peripheral Neoplasms

Activity Summary

IC50 1 meas. best 9.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Purine nucleoside phosphorylase
CHEMBL4338
IC50 9.32 9.32 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Purine nucleoside phosphorylase IC50 = 0.48 nM 9.32 Inhibition of PNP (unknown origin) 37801827

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
19386496 10.1016/j.bmcl.2009.04.018 Purine nucleoside phosphorylase 1
19386498 10.1016/j.bmcl.2009.04.017 Purine nucleoside phosphorylase 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
37801827 10.1016/j.ejmech.2023.115835 Purine nucleoside phosphorylase 1
37801827 10.1016/j.ejmech.2023.115835 Unchecked 1

Data from ChEMBL 36 via Core Engine