Details of the Drug

General Information of Drug (ID: DMVI2H9)

Drug Name

SF-11

Synonyms

TCMDC-124500; MLS001111122; SMR000457056; 3-(4-chlorophenyl)-5-methyl-4-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]-1,2-oxazole; 3-(4-chlorophenyl)-5-methyl-4-{1-[(4-methylphenyl)sulfonyl]-1H-pyrazol-5-yl}isoxazole; SR-01000768170; AC1MCJZ0; CHEMBL548708; GTPL6404; cid_2745583; BDBM46991; HMS1669J02; SR-01000768170-4; SR-01000768170-3; SR-01000768170-2; 3-(4-chlorophenyl)-5-methyl-4-(2-tosylpyrazol-3-yl)isoxazole

Indication

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

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

413.9

Logarithm of the Partition Coefficient (xlogp)

4.6

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C20H16ClN3O3S
IUPAC Name: 3-(4-chlorophenyl)-5-methyl-4-[2-(4-methylphenyl)sulfonylpyrazol-3-yl]-1,2-oxazole
Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC=N2)C3=C(ON=C3C4=CC=C(C=C4)Cl)C
InChI: InChI=1S/C20H16ClN3O3S/c1-13-3-9-17(10-4-13)28(25,26)24-18(11-12-22-24)19-14(2)27-23-20(19)15-5-7-16(21)8-6-15/h3-12H,1-2H3
InChIKey: WFFKVDICECGSHN-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 2745583
TTD ID: D04OPE

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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: 6404).
2	Small molecule activators of TRPML3. Chem Biol. 2010 Feb 26;17(2):135-48.