Details of the Drug

General Information of Drug (ID: DMTYCJ6)

• Drug Name: BW B70C
• Synonyms: BW B70C; BWB70C; BW-B 70C; 134470-38-5; BW-B70C; CHEMBL86676; CHEBI:75307; (E)-N-(3-(3-(4-Fluorophenoxy)phenyl)-1-(R,S)-methylprop-2-enyl)-N-hydroxyurea; 70C; N-[3-[3-4(-Fluorophenoxy)phenyl]-1-methyl-2-propenyl]-N-hydroxyurea; N-(3-(3-(4-Fluorophenoxy)phenyl)-1-methyl-2-propenyl)-N-hydroxyurea; Urea, N-(3-(3-(4-fluorophenoxy)phenyl)-1-methyl-2-propenyl)-N-hydroxy-; C17H17FN2O3; SR-01000075717; (e)-N-{3-[3-(4-fluorophenoxy)phenyl]-1-(r,s)-methylprop-2-enyl}-N-hydroxyurea; Lopac0_000202; BSPBio_001512; SCHEMBL2681955

Indication

Disease Entry	ICD 11	Status	REF
Asthma	CA23	Terminated	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 316.33
  Logarithm of the Partition Coefficient (xlogp); 2.8
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C17H17FN2O3
  IUPAC Name: 1-[(E)-4-[3-(4-fluorophenoxy)phenyl]but-3-en-2-yl]-1-hydroxyurea
  Canonical SMILES: CC(/C=C/C1=CC(=CC=C1)OC2=CC=C(C=C2)F)N(C(=O)N)O
  InChI: InChI=1S/C17H17FN2O3/c1-12(20(22)17(19)21)5-6-13-3-2-4-16(11-13)23-15-9-7-14(18)8-10-15/h2-12,22H,1H3,(H2,19,21)/b6-5+
  InChIKey: UAIYNMRLUHHRMF-AATRIKPKSA-N
• Cross-matching ID:
  PubChem CID: 5353454
  ChEBI ID: CHEMBL75307
  CAS Number: 134470-38-5
  TTD ID: D0HJ1Y
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• Drug Pharmacogenomic Perturbation (DPP)NEW: Click to Jump to the Detailed DPP Information of This Drug

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	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Asthma
• ICD Disease Classification: CA23

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] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002163)
• [2] Hydroxamic acids and hydroxyureas as novel, selective 5-lipoxygenase inhibitors for possible use in asthma. Agents Actions Suppl. 1991;34:189-99.