Details of the Drug

General Information of Drug (ID: DMEUHDL)

Drug Name

1-(4-bromophenyl)-3-hydroxyurea

Synonyms

1-(4-bromophenyl)-3-hydroxyurea; CHEMBL259767; 89677-50-9; AC1N5XPQ; AC1Q7DJ1; SCHEMBL5443582; QFELVVGTIKGYJL-UHFFFAOYSA-N; ZINC396739; N-(4-bromophenyl)-N'-hydroxyurea; BDBM50377111; AKOS024335516

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

231.05

Logarithm of the Partition Coefficient (xlogp)

1.5

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C7H7BrN2O2
IUPAC Name: 1-(4-bromophenyl)-3-hydroxyurea
Canonical SMILES: C1=CC(=CC=C1NC(=O)NO)Br
InChI: InChI=1S/C7H7BrN2O2/c8-5-1-3-6(4-2-5)9-7(11)10-12/h1-4,12H,(H2,9,10,11)
InChIKey: QFELVVGTIKGYJL-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 4251126
TTD ID: D0G6IO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tyrosinase (TYR)	TTULVH8	TYRO_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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
Tyrosinase (TYR)	DTT	TYR	6.68E-04	2.54	1.15

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Analogues of N-hydroxy-N'-phenylthiourea and N-hydroxy-N'-phenylurea as inhibitors of tyrosinase and melanin formation. Bioorg Med Chem Lett. 2008 Jun 15;18(12):3607-10.