INDISULAM

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: WJ98J3NM90

Structure
InChI Key SETFNECMODOHTO-UHFFFAOYSA-N
Smile NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cc1
InChI
InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H12ClN3O4S2
Molecular Weight 385.85
AlogP 2.27
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 122.12
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 24.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- 15 - 15-7840 -
Enzyme
- 15 - 15-7840 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Breast Neoplasms 2 D001943 ClinicalTrials
Colorectal Neoplasms 2 D015179 ClinicalTrials
Leukemia 2 D007938 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Colorectal Neoplasms 2 D015179 ClinicalTrials
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Stomach Neoplasms 1 D013274 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 165668-41-7
ChEBI 145431
ChEMBL CHEMBL77517
DrugBank DB06370
EPA CompTox DTXSID50168008
FDA SRS WJ98J3NM90
Guide to Pharmacology 7046
PDB EF6
PubChem 216468
SureChEMBL SCHEMBL91389
ZINC ZINC000000600748
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