Details of the Drug

General Information of Drug (ID: DMUELHN)

Drug Name
Thiourea
Synonyms
2-Thiopseudourea; 2-Thiourea; Carbamimidothioic acid; Caswell No. 855; Isothiourea; Pseudothiourea; Pseudourea, 2-thio-; RCRA waste no. U219;.beta.-Thiopseudourea; RCRA waste number U219; Sulfourea; Sulfouren; Sulourea; THIOUREA; Thiocarbamid; Thiocarbamide; Thiocarbonic acid diamide; Thioharnstoff; Thiokarbamid; Thiomocovina; Thiomocovina [Czech]; Thiurea; Thiuronium; Tsizp 34; Urea, 2-thio-; Urea, thio-; beta-Thiopseudourea; carbonothioic diamide; sulfocarbamide; thio-urea
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 76.117
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 0
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 1
Chemical Identifiers
Formula
CH4N2S
IUPAC Name
thiourea
Canonical SMILES
C(=S)(N)N
InChI
InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
InChIKey
UMGDCJDMYOKAJW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2723790
ChEBI ID
ChEBI:36946
CAS Number
62-56-6
VARIDT ID
DR00349

Molecular Interaction Atlas of This Drug


Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Urea transporter 1 (SLC14A1) DTMF8LB UT1_HUMAN Substrate [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]
Flavin-containing monooxygenase 2 (FMO2) OTUJUL9S FMO2_HUMAN Regulation of Drug Effects [3]
Flavin-containing monooxygenase 3 (FMO3) OT1G2EV3 FMO3_HUMAN Drug Response [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Functional differentiation of the human red blood cell and kidney urea transporters. Am J Physiol. 1996 Dec;271(6 Pt 2):F1264-8.
2 Synthesis of new cyclic thioureas and evaluation of their metal-chelating activity, acetylcholinesterase, butyrylcholinesterase, and carbonic anhydrase inhibition profiles. J Biochem Mol Toxicol. 2017 Jul;31(7).
3 Genetic polymorphisms of flavin-containing monooxygenase (FMO). Drug Metab Rev. 2002 Aug;34(3):523-32. doi: 10.1081/dmr-120005653.
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.