SPIRAMYCIN

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: J01FA02
UNII: 71ODY0V87H

Structure
InChI Key ACTOXUHEUCPTEW-CEUOBAOPSA-N
Smile CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O
InChI
InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26-,27-,28+,29+,30+,31-,32+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C43H74N2O14
Molecular Weight 843.06
AlogP 2.33
Hydrogen Bond Acceptor 16.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 11.0
Polar Surface Area 195.38
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 59.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial 70S ribosome inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 2.778
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -52.46--1.63
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 64.77

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Toxoplasmosis, Congenital 3 D014125 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 24916-50-5
ChEMBL CHEMBL453514
DrugBank DB06145
DrugCentral 2471
FDA SRS 71ODY0V87H
PDB SPR
PubChem 5289394
ZINC ZINC000257373089
CONTENTS