Details of the Drug

General Information of Drug (ID: DM3DNFQ)

• Drug Name: 2-Methyl-3-(2-Aminothiazolo)Propanal
• Synonyms: 2-Methyl-3-(2-Aminothiazolo)propanal; (2S)-3-(2-amino-1,3-thiazol-4-yl)-2-methylpropanal; AC1NRBOT; DB03024

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); 170.23
  Logarithm of the Partition Coefficient (xlogp); 0.9
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C7H10N2OS
  IUPAC Name: (2S)-3-(2-amino-1,3-thiazol-4-yl)-2-methylpropanal
  Canonical SMILES: C[C@@H](CC1=CSC(=N1)N)C=O
  InChI: InChI=1S/C7H10N2OS/c1-5(3-10)2-6-4-11-7(8)9-6/h3-5H,2H2,1H3,(H2,8,9)/t5-/m0/s1
  InChIKey: KFMAJVLZSDMFBV-YFKPBYRVSA-N
• Cross-matching ID:
  PubChem CID: 5288557
  DrugBank ID: DB03024
  TTD ID: D02MBW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Angiotensinogenase renin (REN)	TTB2MXP	RENI_HUMAN	Inhibitor	[1]

References

• [1] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.