CORDYCEPIN

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Synonyms
Status
Molecule Category Free-form
UNII GZ8VF4M2J8
EPA CompTox DTXSID1041007

Structure

InChI Key OFEZSBMBBKLLBJ-BAJZRUMYSA-N
Smiles Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O
InChI
InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,10+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H13N5O3
Molecular Weight 251.25
AlogP -0.95
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 119.31
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 18.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Chlorocebus sabaeus
- 0.5 - - -
Homo sapiens
- 100 - - -
Trypanosoma brucei
- 1.2-42 - 180 -
Trypanosoma brucei brucei
- 30 - - -

Related Entries

Cross References

Resources Reference
ChEBI 29014
ChEMBL CHEMBL305686
DrugBank DB12156
FDA SRS GZ8VF4M2J8
Guide to Pharmacology 4630
KEGG C08431
PDB 3AD
PubChem 6303
SureChEMBL SCHEMBL98323
ZINC ZINC000001319796
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