Details of the Drug

General Information of Drug (ID: DM8ZG2I)

• Drug Name: O-DESMETHYL TRAMADOL
• Synonyms: O-Desmethyltramadol; O-DESMETHYL TRAMADOL; CHEMBL1400; (-)-O-Desmethyl Tramadol; 80456-81-1; 2-[(Dimethylamino)methyl]-1-(3-hydroxyphenyl)cyclohexanol; CHEMBL201556; O-Demethyl tramadol; tramadol M1 metabolite; Mono-O-demethyltramadol; 144830-15-9; 3-{(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl}phenol; 3-((1R,2R)-2-((dimethylamino)methyl)-1-hydroxycyclohexyl)phenol; (+)-O-Desmethyltramadol; SCHEMBL2517055; CTK8E8372; UWJUQVWARXYRCG-HIFRSBDPSA-N; ZINC2509756; BDBM50176258; BDBM50176263; Phenol, 3-(2-((dimethylamino)me

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 249.35
  Logarithm of the Partition Coefficient (xlogp); 2.3
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C15H23NO2
  IUPAC Name: 3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenol
  Canonical SMILES: CN(C)C[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)O)O
  InChI: InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
  InChIKey: UWJUQVWARXYRCG-HIFRSBDPSA-N
• Cross-matching ID:
  PubChem CID: 9838803
  ChEBI ID: CHEMBL1400
  CAS Number: 144830-14-8
  TTD ID: D0D5QV
• 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]
Serotonin transporter (SERT)	TT3ROYC	SC6A4_HUMAN	Inhibitor	[2]

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
Serotonin transporter (SERT)	DTT	SLC6A4	8.76E-01	7.18E-05	6.19E-04

References

• [1] Syntheses and opioid receptor binding properties of carboxamido-substituted opioids. Bioorg Med Chem Lett. 2009 Jan 1;19(1):203-8.
• [2] Derivatives of tramadol for increased duration of effect. Bioorg Med Chem Lett. 2006 Feb;16(3):691-4.