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]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#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: CHEBI:75307
CAS Number: 134470-38-5
TTD ID: D0HJ1Y

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

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.