Structure

InChI Key KUXUALPOSMRJSW-IFWQJVLJSA-N
Smile N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1.O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChI
InChI=1S/C22H30Cl2N10.C6H12O7/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;7-1-2(8)3(9)4(10)5(11)6(12)13/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2-5,7-11H,1H2,(H,12,13)/t;2-,3-,4+,5-/m.1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H54Cl2N10O14
Molecular Weight 897.77
AlogP 4.18
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 10.0
Number of Rotational Bond 9.0
Polar Surface Area 167.58
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 34.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cell membrane inhibitor PubMed Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pharyngitis 4 D010612 ClinicalTrials
Dental Caries 3 D003731 ClinicalTrials
Peri-Implantitis 3 D057873 ClinicalTrials
Infections 3 D007239 ClinicalTrials
Pneumonia 3 D011014 ClinicalTrials
Cystic Fibrosis 2 D003550 ClinicalTrials
Radiodermatitis 2 D011855 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials
HIV Infections 2 D015658 ClinicalTrials
Abscess 2 D000038 ClinicalTrials
Clostridium Infections 2 D003015 ClinicalTrials
Mucositis 2 D052016 ClinicalTrials
Stomatitis 2 D013280 ClinicalTrials
Sepsis 2 D018805 ClinicalTrials
Head and Neck Neoplasms 1 D006258 ClinicalTrials

Related Entries

Parent
Mixture
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
14.49
Skin and subcutaneous tissue disorders
13.57
General disorders and administration site conditions
13.25
Injury, poisoning and procedural complications
10.28
Nervous system disorders
7.88
Immune system disorders
7.08
Respiratory, thoracic and mediastinal disorders
5.24
Infections and infestations
4.04
Musculoskeletal and connective tissue disorders
3.88
Vascular disorders
3.52
Cardiac disorders
3.08
Investigations
2.92
Psychiatric disorders
2.92
Pregnancy, puerperium and perinatal conditions
2.52

Cross References

Resources Reference
ChEBI 28312
ChEMBL CHEMBL4297088
EPA CompTox DTXSID5034519
FDA SRS MOR84MUD8E
KEGG C08038
PubChem 29089
SureChEMBL SCHEMBL34468