Details of the Drug

General Information of Drug (ID: DMI6SNQ)

• Drug Name: SF-21
• Synonyms: MLS000713637; 4-chloro-N-(2-morpholin-4-ylcyclohexyl)benzenesulfonamide; SMR000273118; SR-01000500139; SF-21; AC1MEZXV; BAS 03787124; Oprea1_235657; Oprea1_704083; GTPL6405; CHEMBL1521361; cid_2911646; CHEBI:91729; BDBM46952; MolPort-000-302-377; HMS2652F10; ML123; STL298589; AKOS000622769; AKOS022139764; CCG-143112; MCULE-3861940652; 384352-24-3; UNM000000650501; SR-01000500139-1; SR-01000500139-3; 4-chloro-N-(2-morpholinocyclohexyl)benzenesulfonamide; 4-chloro-N-(2-morpholinocyclohexyl)-1-benzenesulfonamide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 358.9
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C16H23ClN2O3S
  IUPAC Name: 4-chloro-N-(2-morpholin-4-ylcyclohexyl)benzenesulfonamide
  Canonical SMILES: C1CCC(C(C1)NS(=O)(=O)C2=CC=C(C=C2)Cl)N3CCOCC3
  InChI: InChI=1S/C16H23ClN2O3S/c17-13-5-7-14(8-6-13)23(20,21)18-15-3-1-2-4-16(15)19-9-11-22-12-10-19/h5-8,15-16,18H,1-4,9-12H2
  InChIKey: AYQCZQKMGKDZPS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2911646
  ChEBI ID: CHEBI:91729
  TTD ID: D0BK2Y

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Mucolipin-3 (TRPML3)	TT0NLAQ	MCLN3_HUMAN	Activator	[2]

References

• [1] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6405).
• [2] Small molecule activators of TRPML3. Chem Biol. 2010 Feb 26;17(2):135-48.