Details of the Drug

General Information of Drug (ID: DM3B6A8)

• Drug Name: 5-Phenyl-pentanoic acid benzyl-hydroxy-amide
• Synonyms: N-benzyl-N-hydroxy-5-phenylpentanamide; 158999-12-3; N-Benzyl-N-hydroxy-5-phenylpentamide; CHEMBL301253; N-Bhpp; AC1L4IPK; N-Hydroxy-N-(phenylmethyl)benzenepentanamide; 5-Phenyl-pentanoic acid benzyl-hydroxy-amide; SCHEMBL1271129; DTXSID60166550; ZINC5138973; BDBM50016680; KB-301817; Benzenepentanamide, N-hydroxy-N-(phenylmethyl)-

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); 283.4
  Logarithm of the Partition Coefficient (xlogp); 3.5
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C18H21NO2
  IUPAC Name: N-benzyl-N-hydroxy-5-phenylpentanamide
  Canonical SMILES: C1=CC=C(C=C1)CCCCC(=O)N(CC2=CC=CC=C2)O
  InChI: InChI=1S/C18H21NO2/c20-18(19(21)15-17-12-5-2-6-13-17)14-8-7-11-16-9-3-1-4-10-16/h1-6,9-10,12-13,21H,7-8,11,14-15H2
  InChIKey: MXZUASJHVOWCLX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 157806
  CAS Number: 158999-12-3
  TTD ID: D07ARK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostaglandin G/H synthase 1 (COX-1)	TT8NGED	PGH1_HUMAN	Inhibitor	[1]
Prostaglandin G/H synthase 2 (COX-2)	TTVKILB	PGH2_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
Prostaglandin G/H synthase 2 (COX-2)	DTT	PTGS2	7.93E-04	-0.29	-0.34
Prostaglandin G/H synthase 1 (COX-1)	DTT	PTGS1	3.97E-03	0.16	0.43

References

• [1] Differential effects of a series of hydroxamic acid derivatives on 5-lipoxygenase and cyclooxygenase from neutrophils and 12-lipoxygenase from plat... J Med Chem. 1989 Aug;32(8):1836-42.