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
• #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
  ChEBI ID: CHEMBL483091
  CAS Number: 6913-17-3
  DrugBank ID: DB04018
  TTD ID: D0J1LO
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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 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

References

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