Details of the Drug

General Information of Drug (ID: DM6X4IT)

Drug Name

MDL-28133A

Synonyms

Mdl 28133A; 136861-96-6; N-[4-[1-[2-(4-fluorophenyl)-2-oxo-ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide hydrochloride; Mdl-28,133A; ACMC-20mwcf; AC1L307E; CTK0H5594; DTXSID60159987; 1-(4-Fluorophenyl)-2-(4-((4-methanosulfonamidophenyl)carbonyl)-1-piperidinyl)ethanone hydrochloride; N-[4-[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide hydrochloride; Methanesulfonamide, N-(4-((1-(2-(4-fluorophenyl)-2-oxoethyl)-4-piperidinyl)carbonyl)phenyl)-, monohydrochloride

Indication

Disease Entry	ICD 11	Status	REF
Thrombosis	DB61-GB90	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

454.9

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

7

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

7

Chemical Identifiers

Formula: C21H24ClFN2O4S
IUPAC Name: N-[4-[1-[2-(4-fluorophenyl)-2-oxoethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide;hydrochloride
Canonical SMILES: CS(=O)(=O)NC1=CC=C(C=C1)C(=O)C2CCN(CC2)CC(=O)C3=CC=C(C=C3)F.Cl
InChI: InChI=1S/C21H23FN2O4S.ClH/c1-29(27,28)23-19-8-4-16(5-9-19)21(26)17-10-12-24(13-11-17)14-20(25)15-2-6-18(22)7-3-15;/h2-9,17,23H,10-14H2,1H3;1H
InChIKey: YVIOSUWCZDHHEI-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 132001
CAS Number: 136861-96-6
TTD ID: D04PGO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 2 receptor (5HT2R)	TTYSN63	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction 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 800002814)
2	Effects of MDL 28,133A, a 5-HT2 receptor antagonist, on platelet aggregation and coronary thrombosis in dogs. J Cardiovasc Pharmacol. 1994 Nov;24(5):761-72.