COFORMYCIN

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Synonyms
Status
Molecule Category Free-form
UNII E49510ZL0H

Structure

InChI Key YOOVTUPUBVHMPG-LODYRLCVSA-N
Smiles 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

Mechanism of Action Action Reference
Adenosine deaminase inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - 0.0001-13.9 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 0.11-13.9 -
Plasmodium falciparum
- - - 0.08-0.68 -

Target Conservation

Protein: Adenosine deaminase
Description: Adenosine deaminase
Organism : Homo sapiens
P00813 ENSG00000196839

Related Entries

Cross References

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