Details of the Drug

General Information of Drug (ID: DMYNZXC)

Drug Name
Pyrrolidin-1-yl-thiourea
Synonyms CHEMBL48338; 88147-87-9; N-Pyrrolidin-1-ylthiourea; Thiourea, 1-pyrrolidinyl-; SCHEMBL5320211; CTK3B7005; DTXSID20658163
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) 145.23
Logarithm of the Partition Coefficient (xlogp) 0.3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C5H11N3S
IUPAC Name
pyrrolidin-1-ylthiourea
Canonical SMILES
C1CCN(C1)NC(=S)N
InChI
InChI=1S/C5H11N3S/c6-5(9)7-8-3-1-2-4-8/h1-4H2,(H3,6,7,9)
InChIKey
LUZJFNYVKQEEGM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44291858
CAS Number
88147-87-9
TTD ID
D03KQG

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Transient receptor potential cation channel V1 (TRPV1) TTMI6F5 TRPV1_HUMAN Inhibitor [1]
Transient receptor potential cation channel V4 (TRPV4) TTKP2SU TRPV4_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 N-4-methansulfonamidobenzyl-N'-2-substituted-4-tert-butyl-benzyl thioureas as potent vanilloid receptor antagonistic ligands. Bioorg Med Chem Lett. 2004 Apr 5;14(7):1693-6.