Details of the Drug

General Information of Drug (ID: DMEUTXG)

Drug Name
SC-54750
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 248.32
Topological Polar Surface Area (xlogp) 2.5
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C14H20N2O2
IUPAC Name
tert-butyl 5-amino-2-methyl-2,3-dihydroindole-1-carboxylate
Canonical SMILES
CC1CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)N
InChI
InChI=1S/C14H20N2O2/c1-9-7-10-8-11(15)5-6-12(10)16(9)13(17)18-14(2,3)4/h5-6,8-9H,7,15H2,1-4H3
InChIKey
YOELJPDARJMOOO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
43550116
TTD ID
D00JKB

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

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17 Pancopride, a potent and long-acting 5-HT3 receptor antagonist, is orally effective against anticancer drug-evoked emesis. Eur J Pharmacol. 1992 Nov 10;222(2-3):257-64.
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