Details of the Drug

General Information of Drug (ID: DMOJ9N6)

• Drug Name: S-21007
• Synonyms: 153628-86-5

Indication

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

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 348.5
  Logarithm of the Partition Coefficient (xlogp); 4.6
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C20H20N4S
  IUPAC Name: 8-(4-benzylpiperazin-1-yl)-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
  Canonical SMILES: C1CN(CCN1CC2=CC=CC=C2)C3=NC4=C(N5C3=CC=C5)SC=C4
  InChI: InChI=1S/C20H20N4S/c1-2-5-16(6-3-1)15-22-10-12-23(13-11-22)19-18-7-4-9-24(18)20-17(21-19)8-14-25-20/h1-9,14H,10-13,15H2
  InChIKey: QYWDOJXSLBBWLE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9863146
  TTD ID: D0S0XK

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]

References

• [1] Effects of S-21007, a potent 5-HT3 partial agonist, in mouse anxiety. Zhongguo Yao Li Xue Bao. 1999 Sep;20(9):805-12.