Details of the Drug

General Information of Drug (ID: DM4TSVC)

Drug Name

1-hydroxy-3-phenylurea

Synonyms

1-hydroxy-3-phenylurea; Urea, N-hydroxy-N'-phenyl-; Urea, 1-hydroxy-3-phenyl-; 7335-35-5; CHEMBL125955; NSC52953; NSC 52953; WLN: QMVMR; AI3-63229; AC1Q5NHR; SCHEMBL676383; AC1L322W; DTXSID20223597; MolPort-003-699-942; ZINC161805; BDBM50377106; NSC-52953; AKOS024336836

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)

152.15

Logarithm of the Partition Coefficient (xlogp)

0.4

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C7H8N2O2
IUPAC Name: 1-hydroxy-3-phenylurea
Canonical SMILES: C1=CC=C(C=C1)NC(=O)NO
InChI: InChI=1S/C7H8N2O2/c10-7(9-11)8-6-4-2-1-3-5-6/h1-5,11H,(H2,8,9,10)
InChIKey: AAVSQBMWOCNSDL-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 81786
CAS Number: 7335-35-5
TTD ID: D0T4WL

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

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
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.