Details of the Drug

General Information of Drug (ID: DMMT4PB)

• Drug Name: Osanetant
• Synonyms: Osanetant [INN]; SR-142801; UNII-K7G81N94DT; SB-236984; SR-142806; SR142801; SR-14280; K7G81N94DT; CHEMBL346178; 160492-56-8; SR 142801; N-(1-(3-((R)-1-Benzoyl-3-(3,4-dichlorophenyl)-3-piperidyl)propyl)-4-phenyl-4-piperidyl)-N-methylacetamide; n-(1-{3-[(3r)-1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl}-4-phenylpiperidin-4-yl)-n-methylacetamide; N-(1-(3-((3R)-1-benzoyl-3-(3,4-dichlorophenyl)-3-piperidinyl)propyl)-4-phenyl-4-piperidinyl)-N-methylacetamide; [3H]osanetant; Osanetant [INN]; N-[1-[3-[(3R)-1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]-N-methylacetamide; N-(1-{3-[(3r)-1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl}-4-phenylpiperidin-4-yl)-n-methylacetamide

Indication

Disease Entry	ICD 11	Status	REF
Schizoaffective disorder	6A21	Discontinued in Phase 2b	[1]
Schizophrenia	6A20	Discontinued in Phase 2b	[1]
Depression	6A70-6A7Z	Terminated	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 606.6
  Logarithm of the Partition Coefficient (xlogp); 7
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C35H41Cl2N3O2
  IUPAC Name: N-[1-[3-[(3R)-1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]-N-methylacetamide
  Canonical SMILES: CC(=O)N(C)C1(CCN(CC1)CCC[C@@]2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5
  InChI: InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1
  InChIKey: DZOJBGLFWINFBF-UMSFTDKQSA-N
• Cross-matching ID:
  PubChem CID: 219077
  CAS Number: 160492-56-8
  DrugBank ID: DB04872
  TTD ID: D0IP6X
  VARIDT ID: DR00927
• Repurposed Drugs (RPD): Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Neuromedin-K receptor (TACR3)	TTBPGLU	NK3R_HUMAN	Antagonist	[2]

Molecular Expression Atlas of This Drug

• ICD Disease Classification: 06 Mental, behavioural or neurodevelopmental disorder
• Disease Class: ICD-11: 6A20 Schizophrenia
• The Studied Tissue: Pre-frontal cortex
• The Studied Disease: Schizophrenia [ICD-11:6A20]

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Neuromedin-K receptor (TACR3)	DTT	TACR3	3.59E-01	0.04	0.12
Neuromedin-K receptor (TACR3)	DTT	TACR3	5.19E-01	-4.10E-03	-0.03

References

• [1] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2110).
• [2] Pharmacological characterization of senktide-induced tail whips. Neuropharmacology. 2010 Jan;58(1):259-67.