FORODESINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 426X066ELK

Structure
InChI Key IWKXDMQDITUYRK-KUBHLMPHSA-N
Smile O=c1[nH]cnc2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c[nH]c12
InChI
InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H14N4O4
Molecular Weight 266.26
AlogP -2.02
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 2.0
Polar Surface Area 134.26
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- 0.06-100 0.023 0.056-72 -
Enzyme
- 0.06-100 0.023 0.056-72 -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -15.48--4.62

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Lymphocytic, Chronic, B-Cell 2 D015451 ClinicalTrials
Leukemia 2 D007938 ClinicalTrials
Lymphoma 2 D008223 ClinicalTrials
Lymphoma, T-Cell, Cutaneous 2 D016410 ClinicalTrials
Leukemia, Biphenotypic, Acute 1 D015456 ClinicalTrials

Cross References

Resources Reference
ChEBI 43362
ChEMBL CHEMBL218291
DrugBank DB06185
DrugCentral 5229
FDA SRS 426X066ELK
Guide to Pharmacology 8272
PDB IMH
PubChem 444499
SureChEMBL SCHEMBL506383
ZINC ZINC000013492899
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