Details of the Drug

General Information of Drug (ID: DM3KN2F)

Drug Name

SNAP-7915

Synonyms

SNAP-7915; CHEMBL96467; SNAP7915; SCHEMBL7658901; DTYAFBJXWWLRMA-QMHKHESXSA-N; BDBM50090647; (4S,5S)-4-(3,4-Difluorophenyl)-N-[3-[4-(4-fluorophenyl)-1-piperidinyl]propyl]-5-methyl-2-oxo-3-oxazolidine carboxamide; 4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxazolidine-3-carboxylic acid {3-[4-(4-fluoro-phenyl)-piperidin-1-yl]-propyl}-amide; (4S,5S)-4-(3,4-difluorophenyl)-N-(3-(4-(4-fluorophenyl)piperidin-1-yl)propyl)-5-methyl-2-oxooxazolidine-3-carboxamide

Indication

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

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

475.5

Logarithm of the Partition Coefficient (xlogp)

5

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C25H28F3N3O3
IUPAC Name: (4S,5S)-4-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-5-methyl-2-oxo-1,3-oxazolidine-3-carboxamide
Canonical SMILES: C[C@H]1[C@@H](N(C(=O)O1)C(=O)NCCCN2CCC(CC2)C3=CC=C(C=C3)F)C4=CC(=C(C=C4)F)F
InChI: InChI=1S/C25H28F3N3O3/c1-16-23(19-5-8-21(27)22(28)15-19)31(25(33)34-16)24(32)29-11-2-12-30-13-9-18(10-14-30)17-3-6-20(26)7-4-17/h3-8,15-16,18,23H,2,9-14H2,1H3,(H,29,32)/t16-,23+/m0/s1
InChIKey: DTYAFBJXWWLRMA-QMHKHESXSA-N

Cross-matching ID

PubChem CID: 9830741
TTD ID: D0D8GV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor alpha-1A (ADRA1A)	TTNGILX	ADA1A_HUMAN	Inhibitor	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Adrenergic receptor alpha-1A (ADRA1A)	DTT	ADRA1A	9.43E-01	-0.03	-0.25

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Pharmacophore identification of alpha(1A)-adrenoceptor antagonists. Bioorg Med Chem Lett. 2005 Feb 1;15(3):657-64.