COFORMYCIN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: E49510ZL0H

Structure
InChI Key YOOVTUPUBVHMPG-LODYRLCVSA-N
Smile OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)[C@H](O)[C@@H]1O
InChI
InChI=1S/C11H16N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-6,8-9,11,16-19H,1-2H2,(H,12,13)/t5-,6-,8-,9-,11-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H16N4O5
Molecular Weight 284.27
AlogP -2.21
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 2.0
Polar Surface Area 132.36
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 20.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Adenosine deaminase inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - 0-14 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia 1 D007938 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 16213
ChEMBL CHEMBL284483
FDA SRS E49510ZL0H
KEGG C01677
PDB CFE
PubChem 25447
SureChEMBL SCHEMBL442534
ZINC ZINC000004095697
CONTENTS