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]

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 248.32
  Logarithm of the Partition Coefficient (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 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

References

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