Structure

InChI Key MQJKPEGWNLWLTK-UHFFFAOYSA-N
Smile Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
InChI
InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H12N2O2S
Molecular Weight 248.31
AlogP 1.68
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 86.18
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Dihydropteroate synthase 1 inhibitor ISBN PubMed Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Acne Vulgaris 4 D000152 ClinicalTrials
Leprosy 4 D007918 ClinicalTrials
Malaria, Vivax 3 D016780 ClinicalTrials
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Malaria 3 D008288 ClinicalTrials
Malaria, Falciparum 3 D016778 ClinicalTrials
HIV Infections 3 D015658 ClinicalTrials
Pneumonia, Pneumocystis 3 D011020 ClinicalTrials
Fever 3 D005334 ClinicalTrials
Pulmonary Fibrosis 2 D011658 ClinicalTrials
Pemphigoid, Benign Mucous Membrane 2 D010390 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Stroke 2 D020521 ClinicalTrials
Rosacea 2 D012393 ClinicalTrials
Sarcoidosis 2 D012507 ClinicalTrials
Pemphigus 2 D010392 ClinicalTrials

Related Entries

MCS

Scaffolds

Side Effects from Label

Side effects Relative Frequency (%) Labels
General disorders and administration site conditions Application site reaction 20.0
General disorders and administration site conditions Application site reaction 18.0
General disorders and administration site conditions Application site dryness 17.0
General disorders and administration site conditions Application site dryness 16.0
Skin and subcutaneous tissue disorders Skin exfoliation 15.0
General disorders and administration site conditions Application site erythema 14.0
General disorders and administration site conditions Application site erythema 13.0
Skin and subcutaneous tissue disorders Skin exfoliation 13.0
Skin and subcutaneous tissue disorders Erythema 9.0
Skin and subcutaneous tissue disorders Erythema 6.0
Infections and infestations Nasopharyngitis 6.0
Skin and subcutaneous tissue disorders Skin exfoliation 6.0
Skin and subcutaneous tissue disorders Erythema 5.0
Infections and infestations Nasopharyngitis 5.0
Nervous system disorders Headache 4.0
General disorders and administration site conditions Application site burn 2.0
General disorders and administration site conditions Application site pain 2.0
Respiratory, thoracic and mediastinal disorders Cough 2.0
Gastrointestinal disorders Pharyngitis 2.0
Infections and infestations Sinusitis 2.0
General disorders and administration site conditions Application site burn 1.0
General disorders and administration site conditions Application site pain 1.0
General disorders and administration site conditions Application site pruritus 1.0
Investigations Body temperature increased 1.0
Skin and subcutaneous tissue disorders Erythema 1.0
Infections and infestations Influenza 1.0
Injury, poisoning and procedural complications Ligament sprain 1.0
Infections and infestations Sinusitis 1.0
Skin and subcutaneous tissue disorders Skin exfoliation 1.0

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Skin and subcutaneous tissue disorders
25.12
Immune system disorders
12.35
General disorders and administration site conditions
11.64
Injury, poisoning and procedural complications
10.92
Blood and lymphatic system disorders
5.57
Respiratory, thoracic and mediastinal disorders
4.52
Hepatobiliary disorders
4.03
Nervous system disorders
3.99
Infections and infestations
2.94
Cardiac disorders
2.52
Vascular disorders
2.49
Gastrointestinal disorders
2.26

Cross References

Resources Reference
CAS NUMBER 80-08-0
ChEBI 4325
ChEMBL CHEMBL1043
DrugBank DB00250
DrugCentral 782
EPA CompTox DTXSID4020371
FDA SRS 8W5C518302
Human Metabolome Database HMDB0014395
Guide to Pharmacology 10934
KEGG C07666
PharmGKB PA449211
PubChem 2955
SureChEMBL SCHEMBL21428
ZINC ZINC000000006310