Details of the Drug

General Information of Drug (ID: DMOQIWH)

Drug Name
L-745337
Synonyms
Thioflosulide; L-745337; CHEMBL287919; 158205-05-1; L 745337; L 745,337; L-745,337; SCHEMBL2464202; ZINC1887701; BDBM50029603; CS-6783; N-(6-((2,4-Difluorophenyl)thio)-2,3-dihydro-1-oxo-1H-inden-5-yl)methanesulfonamide; HY-19217; L745,337
Indication
Disease Entry ICD 11 Status REF
Asthma CA23 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 369.4
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C16H13F2NO3S2
IUPAC Name
N-[6-(2,4-difluorophenyl)sulfanyl-1-oxo-2,3-dihydroinden-5-yl]methanesulfonamide
Canonical SMILES
CS(=O)(=O)NC1=C(C=C2C(=C1)CCC2=O)SC3=C(C=C(C=C3)F)F
InChI
InChI=1S/C16H13F2NO3S2/c1-24(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)23-15-5-3-10(17)7-12(15)18/h3,5-8,19H,2,4H2,1H3
InChIKey
HDUWKQUHMUSICC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9799453
ChEBI ID
CHEMBL287919
CAS Number
158205-05-1
TTD ID
D05EYG
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Prostaglandin G/H synthase 2 (COX-2) TTVKILB PGH2_HUMAN Modulator [2]
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Molecular Expression Atlas of This Drug

The Studied Disease Asthma
ICD Disease Classification CA23
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Prostaglandin G/H synthase 2 (COX-2) DTT PTGS2 7.93E-04 -0.29 -0.34
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800005419)
2 Pharmacology of a selective cyclooxygenase-2 inhibitor, L-745,337: a novel nonsteroidal anti-inflammatory agent with an ulcerogenic sparing effect ... J Pharmacol Exp Ther. 1995 Sep;274(3):1531-7.