Details of the Drug

General Information of Drug (ID: DMX8JYN)

• Drug Name: RG-7090
• Synonyms: RO-4917523; Antidepressant (oral), Hoffmann-La Roche; MGluR5 antagonist (depression/fragile X syndrome, oral), Roche

Indication

Disease Entry	ICD 11	Status	REF
Fragile X syndrome	LD55	Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 325.8
  Logarithm of the Partition Coefficient (xlogp); 4.5
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C18H13ClFN3
  IUPAC Name: 2-chloro-4-[2-[1-(4-fluorophenyl)-2,5-dimethylimidazol-4-yl]ethynyl]pyridine
  Canonical SMILES: CC1=C(N=C(N1C2=CC=C(C=C2)F)C)C#CC3=CC(=NC=C3)Cl
  InChI: InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3
  InChIKey: UPZWINBEAHDTLA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11438771
  ChEBI ID: CHEMBL3301626
  CAS Number: 802906-73-6
  UNII: 3110E3AO8S
  DrugBank ID: DB11833
  TTD ID: D04QKU
• Drug Pharmacogenomic Perturbation (DPP)NEW: Click to Jump to the Detailed DPP Information of This Drug
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Metabotropic glutamate receptor 5 (mGluR5)	TTHS256	GRM5_HUMAN	Antagonist	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Fragile X syndrome
• ICD Disease Classification: LD55

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Metabotropic glutamate receptor 5 (mGluR5)	DTT	GRM5	9.81E-07	-0.26	-0.54

References

• [1] ClinicalTrials.gov (NCT01750957) A Study of RO4917523 in Pediatric Patients With Fragile X Syndrome. U.S. National Institutes of Health.
• [2] The challenges of clinical trials in fragile X syndrome. Psychopharmacology (Berl) 2014; 231(6): 1237-1250.