Structure

InChI Key JCBIVZZPXRZKTI-UHFFFAOYSA-N
Smile CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12.O=S(=O)(O)O
InChI
InChI=1S/C18H26ClN3O.H2O4S/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18;1-5(2,3)4/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21);(H2,1,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H28ClN3O5S
Molecular Weight 433.96
AlogP 3.78
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 48.39
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Ferriprotoporphyrin IX inhibitor PubMed Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Malaria 4 D008288 ClinicalTrials
Coronavirus Infections 3 D018352 ClinicalTrials
Lupus Erythematosus, Cutaneous 3 D008178 ClinicalTrials
Lung Diseases 3 D008171 ClinicalTrials
Lupus Erythematosus, Systemic 3 D008180 ClinicalTrials
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Nephritis, Hereditary 2 D009394 ClinicalTrials
Antiphospholipid Syndrome 2 D016736 ClinicalTrials
Cholangiocarcinoma 2 D018281 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Lung Diseases, Interstitial 2 D017563 ClinicalTrials
Pancreatic Neoplasms 2 D010190 ClinicalTrials
Rheumatic Diseases 1 D012216 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
16.71
Musculoskeletal and connective tissue disorders
12.49
Immune system disorders
7.67
Skin and subcutaneous tissue disorders
7.56
Nervous system disorders
6.05
Gastrointestinal disorders
5.66
Injury, poisoning and procedural complications
5.16
Investigations
5.08
Infections and infestations
4.92
Cardiac disorders
4.63
Respiratory, thoracic and mediastinal disorders
4.48
Eye disorders
3.51
Vascular disorders
3.29
Psychiatric disorders
2.2

Cross References

Resources Reference
ChEMBL CHEMBL1690
EPA CompTox DTXSID1047811
FDA SRS 8Q2869CNVH
PubChem 12947
SureChEMBL SCHEMBL41114