Details of the Drug

General Information of Drug (ID: DMRYJBA)

• Drug Name: Phenanthrene-3-carboxylic acid hydroxyamide
• Synonyms: Phenanthrene-3-carboxylic acid hydroxyamide; CHEMBL367306; SCHEMBL10362071; Phenanthrene-3-carbohydroximic acid; ZINC28105728

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); 237.25
  Logarithm of the Partition Coefficient (xlogp); 3.8
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C15H11NO2
  IUPAC Name: N-hydroxyphenanthrene-3-carboxamide
  Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)C(=O)NO
  InChI: InChI=1S/C15H11NO2/c17-15(16-18)12-8-7-11-6-5-10-3-1-2-4-13(10)14(11)9-12/h1-9,18H,(H,16,17)
  InChIKey: NDIZNAOCRKZKMN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44387129
  TTD ID: D04ZGR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Arachidonate 5-lipoxygenase (5-LOX)	TT2J34L	LOX5_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
Arachidonate 5-lipoxygenase (5-LOX)	DTT	ALOX5	4.15E-01	-0.06	-0.15

References

• [1] Hydroxamic acid inhibitors of 5-lipoxygenase: quantitative structure-activity relationships. J Med Chem. 1990 Mar;33(3):992-8.