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]
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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
CAS Number: 158205-05-1
TTD ID: D05EYG

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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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Prostaglandin G/H synthase 2 (PTGS2)	OT75U9M4	PGH2_HUMAN	Gene/Protein Processing	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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)

MEA Detail

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.
3	Generation of 8-epiprostaglandin F2alpha by human monocytesDiscriminate production by reactive oxygen species and prostaglandin endoperoxide synthase-2. J Biol Chem. 1996 Apr 12;271(15):8919-24.