Details of the Drug

General Information of Drug (ID: DMCTVMI)

• Drug Name: PHENAZOCINE
• Synonyms: PHENAZOCINE HYDROBROMIDE; Narphen; Phenazocine (+-)- hydrobromide; EINECS 214-982-5; 1239-04-9; 1,2,3,4,5,6-Hexahydro-6,11-dimethyl-3-phenethyl-2,6-methano-3-benzazocin-8-ol hydrobromide; 2'-Hydroxy-5,9-dimethyl-2-phenethyl-6,7-benzomorphan hydrobromide; 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-phenethyl-, hydrobromide; NIH 7519 hydrobromide; AC1L24DX; C22H27NO.HBr; SCHEMBL396395; PHENETHYLAZOCINE BROMIDE; 127-35-5 (Parent); CHEMBL2107297; DTXSID20872382; AKOS022180090; LS-90611

Indication

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

• ATC Code:
  N02AD02: PHENAZOCINE
  N02AD: Benzomorphan derivatives
  N02A: OPIOIDS
  N02: ANALGESICS
  N: NERVOUS SYSTEM
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 321.5
  Logarithm of the Partition Coefficient (xlogp); 3.8
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C22H27NO
  IUPAC Name: 1,13-dimethyl-10-(2-phenylethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
  Canonical SMILES: CC1C2CC3=C(C1(CCN2CCC4=CC=CC=C4)C)C=C(C=C3)O
  InChI: InChI=1S/C22H27NO/c1-16-21-14-18-8-9-19(24)15-20(18)22(16,2)11-13-23(21)12-10-17-6-4-3-5-7-17/h3-9,15-16,21,24H,10-14H2,1-2H3
  InChIKey: ZQHYKVKNPWDQSL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 14707
  ChEBI ID: CHEMBL46399
  CAS Number: 127-35-5
  UNII: J0ND6N0AQC
  DrugBank ID: DB13606
  TTD ID: D0I9SX
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA 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
Opioid receptor delta (OPRD1)	TT27RFC	OPRD_HUMAN	Inhibitor	[1]
Opioid receptor kappa (OPRK1)	TTQW87Y	OPRK_HUMAN	Inhibitor	[1]
Opioid receptor mu (MOP)	TTKWM86	OPRM_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Opioid receptor mu (MOP)	DTT	OPRM1	5.94E-01	-0.02	-0.17
Opioid receptor delta (OPRD1)	DTT	OPRD1	5.52E-01	0.03	0.23

References

• [1] Syntheses and opioid receptor binding properties of carboxamido-substituted opioids. Bioorg Med Chem Lett. 2009 Jan 1;19(1):203-8.