DIRITHROMYCIN

Search structure
Trade Names:
Synonyms:
Status: Approved (1995)
Entry Type: Small molecule
Molecule Category: UNKNOWN Prodrug
ATC: J01FA13
UNII: 1801D76STL

Structure
InChI Key WLOHNSSYAXHWNR-GDLCQVGZSA-N
Smile CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O
InChI
InChI=1S/C42H78N2O14/c1-15-29-42(10,49)37-24(4)32(43-30(56-37)21-52-17-16-50-13)22(2)19-40(8,48)36(58-39-33(45)28(44(11)12)18-23(3)53-39)25(5)34(26(6)38(47)55-29)57-31-20-41(9,51-14)35(46)27(7)54-31/h22-37,39,43,45-46,48-49H,15-21H2,1-14H3/t22-,23-,24+,25+,26-,27+,28+,29?,30-,31+,32+,33-,34+,35+,36-,37-,39+,40-,41-,42-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C42H78N2O14
Molecular Weight 835.09
AlogP 2.2
Hydrogen Bond Acceptor 16.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 12.0
Polar Surface Area 196.33
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 58.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial 70S ribosome inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -8.43-11.46
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 109.07

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteomyelitis 1 D010019 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 62013-04-1
ChEBI 474014
ChEMBL CHEMBL1237072
DrugBank DB00954
DrugCentral 925
FDA SRS 1801D76STL
PDB DI0
PubChem 6473883
ZINC ZINC000096095661
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