Details of the Drug

General Information of Drug (ID: DMIU3C8)

Drug Name

1-(4-cyano-2-hydroxyphenyl)-3-phenylurea

Synonyms

CHEMBL25573; 1-(4-cyano-2-hydroxyphenyl)-3-phenylurea; 1-(4-cyano-2-hydroxy-phenyl)-3-phenyl-urea; SCHEMBL7489930; ZINC13559607

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)

253.26

Logarithm of the Partition Coefficient (xlogp)

1.8

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C14H11N3O2
IUPAC Name: 1-(4-cyano-2-hydroxyphenyl)-3-phenylurea
Canonical SMILES: C1=CC=C(C=C1)NC(=O)NC2=C(C=C(C=C2)C#N)O
InChI: InChI=1S/C14H11N3O2/c15-9-10-6-7-12(13(18)8-10)17-14(19)16-11-4-2-1-3-5-11/h1-8,18H,(H2,16,17,19)
InChIKey: XRZHCICQICNYCB-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 2 (CXCR2)	TT30C9G	CXCR2_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 2 (CXCR2)	DTT	CXCR2	8.82E-01	-0.23	-0.21
C-X-C chemokine receptor type 2 (CXCR2)	DTT	CXCR2	1.34E-01	0.21	0.19

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Comparison of N,N'-diarylsquaramides and N,N'-diarylureas as antagonists of the CXCR2 chemokine receptor. Bioorg Med Chem Lett. 2007 Mar 15;17(6):1713-7.