Details of the Drug

General Information of Drug (ID: DM049QO)

• Drug Name: 4-Morpholin-2-yl-benzene-1,2-diol
• Synonyms: 4-(2-Morpholinyl)pyrocatechol; 1,2-Benzenediol, 4-(2-morpholinyl)-; BRN 0170116; Pyrocatechol, 4-(2-morpholinyl)-; CHEMBL7681; 54826-84-5; 2-(3,4-Dioxyphenyl)tetrahydro-1,4-oxazin [German]; 4-Morpholin-2-yl-benzene-1,2-diol; AC1MIECG; 2-(3,4-Dioxyphenyl)tetrahydro-1,4-oxazin; 3,4-Dioxyphenyl-Morpholin; SCHEMBL17632965; CTK5A2632; 4-morpholin-2-ylbenzene-1,2-diol; BDBM50000502; AKOS022644999; UK-42620; LS-136459

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); 195.21
  Logarithm of the Partition Coefficient (xlogp); 0.6
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C10H13NO3
  IUPAC Name: 4-morpholin-2-ylbenzene-1,2-diol
  Canonical SMILES: C1COC(CN1)C2=CC(=C(C=C2)O)O
  InChI: InChI=1S/C10H13NO3/c12-8-2-1-7(5-9(8)13)10-6-11-3-4-14-10/h1-2,5,10-13H,3-4,6H2
  InChIKey: GYJRRQRGZZEHEB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 3042920
  CAS Number: 54826-84-5
  TTD ID: D0S1GH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor alpha-1A (ADRA1A)	TTNGILX	ADA1A_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-1B (ADRA1B)	TTBRKXS	ADA1B_HUMAN	Inhibitor	[1]
Adrenergic receptor alpha-1D (ADRA1D)	TT34BHT	ADA1D_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
Adrenergic receptor alpha-1A (ADRA1A)	DTT	ADRA1A	9.43E-01	-0.03	-0.25

References

• [1] Conformational effects on the activity of drugs. 13. A revision of previously proposed models for the activation of alpha- and beta-adrenergic rece... J Med Chem. 1992 Mar 20;35(6):1009-18.