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]
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
UNII
6F82C6Q54C
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]

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]
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
Tyrosinase (TYR) DTT TYR 6.68E-04 2.54 1.15
Molecular Expression Atlas (MEA) 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.