Details of the Drug

General Information of Drug (ID: DMZ30AM)

Drug Name
S-Isopropyl-Isothiourea
Synonyms
S-Isopropylisothiourea hydrobromide; 4269-97-0; S-Isopropylthiourea hydrobromide; 57200-31-4; SR-01000597878; IPITU hydrobromide; C4H10N2S.HBr; S-Isopropylthiuronium bromide; S-Isopropyl-ITU hydrobromide; SCHEMBL7532633; S-ISOPROPYLISOTHIOUREA HBR; DTXSID10431048; MolPort-003-937-638; 2036AH; AKOS024458684; ACM4269970; B6494; SR-01000597878-2
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) 118.2
Logarithm of the Partition Coefficient (xlogp) 1
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C4H10N2S
IUPAC Name
propan-2-yl carbamimidothioate
Canonical SMILES
CC(C)SC(=N)N
InChI
InChI=1S/C4H10N2S/c1-3(2)7-4(5)6/h3H,1-2H3,(H3,5,6)
InChIKey
XSSNABKEYXKKMK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
445319
CAS Number
6913-17-3
DrugBank ID
DB04018
TTD ID
D0J1LO

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Nitric-oxide synthase endothelial (NOS3) TTCM4B3 NOS3_HUMAN Inhibitor [1]
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
Nitric-oxide synthase endothelial (NOS3) DTT NOS3 3.68E-01 -0.11 -0.85
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.