Structure

InChI Key UFUVLHLTWXBHGZ-MGZQPHGTSA-N
Smile CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]2O)N(C)C1
InChI
InChI=1S/C18H34ClN2O8PS/c1-5-6-10-7-11(21(3)8-10)17(24)20-12(9(2)19)15-13(22)14(23)16(18(28-15)31-4)29-30(25,26)27/h9-16,18,22-23H,5-8H2,1-4H3,(H,20,24)(H2,25,26,27)/t9-,10+,11-,12+,13+,14-,15+,16+,18+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H34ClN2O8PS
Molecular Weight 504.97
AlogP 0.51
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 9.0
Polar Surface Area 148.79
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial 70S ribosome inhibitor PubMed DailyMed Wikipedia Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Vulvovaginitis 3 D014848 ClinicalTrials
Rosacea 2 D012393 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Skin and subcutaneous tissue disorders
13.15
General disorders and administration site conditions
12.49
Immune system disorders
11.04
Gastrointestinal disorders
9.69
Injury, poisoning and procedural complications
7.1
Infections and infestations
6.12
Respiratory, thoracic and mediastinal disorders
5.31
Vascular disorders
4.25
Cardiac disorders
3.78
Nervous system disorders
3.66
Investigations
3.48
Musculoskeletal and connective tissue disorders
3.0
Reproductive system and breast disorders
2.58
Blood and lymphatic system disorders
2.44
Renal and urinary disorders
2.16

Cross References

Resources Reference
ChEMBL CHEMBL3184512
DrugCentral 3909
EPA CompTox DTXSID1048677
FDA SRS EH6D7113I8
PubChem 443385
SureChEMBL SCHEMBL37148
ZINC ZINC000004102185