Details of the Drug

General Information of Drug (ID: DMUSEOW)

Drug Name

1-(2-Bromo-phenyl)-3-(2,4-dihydroxy-phenyl)-urea

Synonyms

CHEMBL184637; 1-(2-Bromo-phenyl)-3-(2,4-dihydroxy-phenyl)-urea

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

323.14

Logarithm of the Partition Coefficient (xlogp)

2.5

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C13H11BrN2O3
IUPAC Name: 1-(2-bromophenyl)-3-(2,4-dihydroxyphenyl)urea
Canonical SMILES: C1=CC=C(C(=C1)NC(=O)NC2=C(C=C(C=C2)O)O)Br
InChI: InChI=1S/C13H11BrN2O3/c14-9-3-1-2-4-10(9)15-13(19)16-11-6-5-8(17)7-12(11)18/h1-7,17-18H,(H2,15,16,19)
InChIKey: UUVQJGFAYHMNII-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
C-X-C chemokine receptor type 1 (CXCR1)	TTMWT8Z	CXCR1_HUMAN	Inhibitor	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

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
C-X-C chemokine receptor type 1 (CXCR1)	DTT	CXCR1	1.29E-01	0.12	0.32
C-X-C chemokine receptor type 1 (CXCR1)	DTT	CXCR1	1.66E-01	0.07	0.2

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Synthesis and structure-activity relationships of 3,5-diarylisoxazoles and 3,5-diaryl-1,2,4-oxadiazoles, novel classes of small molecule interleuki... Bioorg Med Chem Lett. 2004 Aug 16;14(16):4307-11.