Details of the Drug

General Information of Drug (ID: DM0BEM3)

• Drug Name: RP-68303
• Synonyms: 136701-68-3; RP-68303; CHEMBL274728; 1-(2-(4-((5-Fluoro-1H-indol-3-yl)methyl)-1-piperidinyl)ethyl)-5,6-dihydro-1H,4H-1,2,5-thiadiazolo(4,3,2-ij)quinoline 2,2-dioxide; 1-(Fim-PE)-dtqd; 1H,4H-[1,2,5]Thiadiazolo[4,3,2-ij]quinoline,1-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]-1-piperidinyl]ethyl]-5,6-dihydro-,2,2-dioxide; ACMC-20mw9l; AC1L4DLH; SCHEMBL9635292; CTK4C0419; DTXSID70159892; BDBM50047098; 1-{2-[4-(5-Fluoro-1H-indol-3-ylmethyl)-piperidin-1-yl]-ethyl}-4,5-dihydro-1H,3H-2-thia-1,2a-diaza-acenaphthylene 2,2-dioxide
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 468.6
  Logarithm of the Partition Coefficient (xlogp); 4
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C25H29FN4O2S
  IUPAC Name: 3-[2-[4-[(5-fluoro-1H-indol-3-yl)methyl]piperidin-1-yl]ethyl]-2lambda6-thia-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene 2,2-dioxide
  Canonical SMILES: C1CC2=C3C(=CC=C2)N(S(=O)(=O)N3C1)CCN4CCC(CC4)CC5=CNC6=C5C=C(C=C6)F
  InChI: InChI=1S/C25H29FN4O2S/c26-21-6-7-23-22(16-21)20(17-27-23)15-18-8-11-28(12-9-18)13-14-29-24-5-1-3-19-4-2-10-30(25(19)24)33(29,31)32/h1,3,5-7,16-18,27H,2,4,8-15H2
  InChIKey: NZUSTSFFNOEAHE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 183775
  CAS Number: 136701-68-3
  TTD ID: D0ES4S

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 2A receptor (HTR2A)	TTJQOD7	5HT2A_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
5-HT 2A receptor (HTR2A)	DTT	HTR2A	1.68E-01	-0.3	-0.14
5-HT 2A receptor (HTR2A)	DTT	HTR2A	5.59E-01	0.15	0.21

References

• [1] New indole derivatives as potent and selective serotonin uptake inhibitors. J Med Chem. 1993 Apr 30;36(9):1194-202.