Details of the Drug

General Information of Drug (ID: DMJ576C)

Drug Name
SC-52491
Synonyms 147600-74-6; 175773-85-0; SC-52490; SC-52491A
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) 321.8
Logarithm of the Partition Coefficient (xlogp) 1.7
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C16H20ClN3O2
IUPAC Name
4-amino-N-(1-azatricyclo[3.3.1.03,7]nonan-4-yl)-5-chloro-2-methoxybenzamide
Canonical SMILES
COC1=CC(=C(C=C1C(=O)NC2C3CC4C2CN(C4)C3)Cl)N
InChI
InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)
InChIKey
MRKYTIJPEALHEE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9885123
TTD ID
D03TPY

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 3 receptor (5HT3R) TTNXLKE NOUNIPROTAC Modulator [1]
5-HT 4 receptor (HTR4) TT07C3Y 5HT4R_HUMAN Modulator [1]
Molecular Interaction Atlas (MIA) 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
5-HT 4 receptor (HTR4) DTT HTR4 6.16E-01 -0.03 -0.24
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Azaadamantane benzamide 5-HT4 agonists: gastrointestinal prokinetic SC-54750. Bioorg Med Chem Lett. 2004 Nov 15;14(22):5509-12.