NICLOSAMIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: P02DA01
UNII: 8KK8CQ2K8G

Structure
InChI Key RJMUSRYZPJIFPJ-UHFFFAOYSA-N
Smile O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O
InChI
InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H8Cl2N2O4
Molecular Weight 327.12
AlogP 3.86
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 92.47
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase AKT family
- 59400 - - -
Enzyme Kinase Protein Kinase AGC protein kinase group AGC protein kinase PDK1 subfamily
- 83900 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family
- 77500 - - -
Enzyme Kinase Protein Kinase Other protein kinase group Other protein kinase AUR family
- 54100 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 10500 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase FGFR family
- 13100 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakA family
- 10000 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase JakB family
- 10000 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase PDGFR family
- 27800 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 10000-10500 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Tie family
- 67800 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase VEGFR family
- 23100 - - -
Enzyme Transferase
- 280 - - 5.92-28.67
Enzyme
- 10000-10500 - - 5.92-28.67
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 42.34-97
Ion channel Other ion channel Chloride channel Calcium-activated chloride channel
- 28 - - -
Transcription factor
- 210-1930 - - 88.2

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Diabetic Nephropathies 3 D003928 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials
Adenomatous Polyposis Coli 2 D011125 ClinicalTrials
Colorectal Neoplasms 2 D015179 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Arthritis, Rheumatoid 1 D001172 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 1 D064129 ClinicalTrials
Colonic Neoplasms 1 D003110 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 50-65-7
ChEBI 7553
ChEMBL CHEMBL1448
DrugBank DB06803
DrugCentral 1912
EPA CompTox DTXSID7040362
FDA SRS 8KK8CQ2K8G
Human Metabolome Database HMDB0015679
Guide to Pharmacology 8494
KEGG D00436
PharmGKB PA165958408
PubChem 4477
SureChEMBL SCHEMBL67182
ZINC ZINC000003874496
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