APRAMYCIN

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Synonyms
Status
Molecule Category Free-form
UNII 388K3TR36Z

Structure

InChI Key XZNUGFQTQHRASN-PSDDYZKFSA-N
Smiles CN[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](N)[C@H](O)[C@H]2O)OC2C[C@@H](N)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N)C[C@@H]3N)OC2[C@@H]1O
InChI
InChI=1S/C21H41N5O11/c1-26-11-14(30)18-8(33-20(11)37-21-16(32)13(29)10(25)9(4-27)34-21)3-7(24)19(36-18)35-17-6(23)2-5(22)12(28)15(17)31/h5-21,26-32H,2-4,22-25H2,1H3/t5-,6+,7-,8?,9-,10-,11+,12+,13+,14-,15-,16-,17-,18?,19+,20-,21-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H41N5O11
Molecular Weight 539.58
AlogP -6.95
Hydrogen Bond Acceptor 16.0
Hydrogen Bond Donor 11.0
Number of Rotational Bond 6.0
Polar Surface Area 283.64
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 37.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 30
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Euplotes aediculatus
- - - - 0
Homo sapiens
- - - - 10-30
Tetrahymena thermophila
- - - - 0-0

Cross References

Resources Reference
ChEMBL CHEMBL1909452
FDA SRS 388K3TR36Z
CONTENTS