Details of the Drug

General Information of Drug (ID: DMZ76EM)

• Drug Name: CP-316,311
• Synonyms: CP-316311

Indication

Disease Entry	ICD 11	Status	REF
Major depressive disorder	6A70.3	Discontinued in Phase 2	[1]
Mood disorder	6A60-6E23	Discontinued in Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 327.5
  Logarithm of the Partition Coefficient (xlogp); 6.4
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C21H29NO2
  IUPAC Name: 3,6-dimethyl-4-pentan-3-yloxy-2-(2,4,6-trimethylphenoxy)pyridine
  Canonical SMILES: CCC(CC)OC1=C(C(=NC(=C1)C)OC2=C(C=C(C=C2C)C)C)C
  InChI: InChI=1S/C21H29NO2/c1-8-18(9-2)23-19-12-16(6)22-21(17(19)7)24-20-14(4)10-13(3)11-15(20)5/h10-12,18H,8-9H2,1-7H3
  InChIKey: ZSEJGVQTBLJRCQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9818802
  CAS Number: 175139-41-0
  TTD ID: D0R2KV
• 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
Corticotropin-releasing factor receptor 1 (CRHR1)	TT7EFHR	CRFR1_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: Major depressive disorder [ICD-11:6A20]

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Corticotropin-releasing factor receptor 1 (CRHR1)	DTT	CRHR1	7.70E-01	-0.02	-0.1

References

• [1] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800009248)
• [2] Novel drugs and therapeutic targets for severe mood disorders. Neuropsychopharmacology. 2008 Aug;33(9):2080-92.