Details of the Drug

General Information of Drug (ID: DMM1IAU)

Drug Name

PHENYLTHIOUREA

Synonyms

Phenylthiourea; N-Phenylthiourea; 1-Phenylthiourea; 103-85-5; 1-PHENYL-2-THIOUREA; Phenylthiocarbamide; Thiourea, phenyl-; Phenyl-2-thiourea; Urea, 1-phenyl-2-thio-; phenyl-thiourea; Thiourea, N-phenyl-; Fenylthiomocovina; USAF EK-1569; RCRA waste number P093; NCI-C02017; CCRIS 514; Fenylthiomocovina [Czech]; NSC 5779; N-Phenyl-Thiourea; N-phenylisothiourea; alpha-Phenylthiourea; U 6324; UNII-6F82C6Q54C; HSDB 4105; .alpha.-Phenylthiourea; EINECS 203-151-2; RCRA waste no. P093; AI3-07549; CHEMBL263376; CHEBI:46261

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)

152.22

Logarithm of the Partition Coefficient (xlogp)

0.7

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C7H8N2S
IUPAC Name: phenylthiourea
Canonical SMILES: C1=CC=C(C=C1)NC(=S)N
InChI: InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
InChIKey: FULZLIGZKMKICU-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 676454
ChEBI ID: CHEBI:46261
CAS Number: 103-85-5
DrugBank ID: DB03694
TTD ID: D02CFH

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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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Carbonic anhydrase 1 (CA1)	OTNFBVVQ	CAH1_HUMAN	Gene/Protein Processing	[2]
Carbonic anhydrase 2 (CA2)	OTJRMUAG	CAH2_HUMAN	Gene/Protein Processing	[2]
Caspase-9 (CASP9)	OTD4RFFG	CASP9_HUMAN	Gene/Protein Processing	[3]
Flavin-containing monooxygenase 3 (FMO3)	OT1G2EV3	FMO3_HUMAN	Drug Response	[4]
Peroxisome proliferator-activated receptor alpha (PPARA)	OTK095PP	PPARA_HUMAN	Gene/Protein Processing	[3]
Protein c-Fos (FOS)	OTJBUVWS	FOS_HUMAN	Gene/Protein Processing	[5]
Taste receptor type 2 member 38 (TAS2R38)	OTX5MM36	T2R38_HUMAN	Gene/Protein Processing	[6]
Transcription factor p65 (RELA)	OTUJP9CN	TF65_HUMAN	Gene/Protein Processing	[3]

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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.
2	Synthesis, characterization, antioxidant, antidiabetic, anticholinergic, and antiepileptic properties of novel N-substituted tetrahydropyrimidines based on phenylthiourea. J Biochem Mol Toxicol. 2018 Dec;32(12):e22221.
3	Human glioblastoma ADF cells express tyrosinase, L-tyrosine hydroxylase and melanosomes and are sensitive to L-tyrosine and phenylthiourea. J Cell Physiol. 2006 Jun;207(3):675-82. doi: 10.1002/jcp.20603.
4	Thiourea toxicity in mouse C3H/10T1/2 cells expressing human flavin-dependent monooxygenase 3. Biochem Pharmacol. 2002 Jun 1;63(11):1941-8. doi: 10.1016/s0006-2952(02)00978-4.
5	Role of CCK1 and Y2 receptors in activation of hindbrain neurons induced by intragastric administration of bitter taste receptor ligands. Am J Physiol Regul Integr Comp Physiol. 2008 Jan;294(1):R33-8. doi: 10.1152/ajpregu.00675.2007. Epub 2007 Nov 14.
6	Probenecid inhibits the human bitter taste receptor TAS2R16 and suppresses bitter perception of salicin. PLoS One. 2011;6(5):e20123.