Details of the Drug

General Information of Drug (ID: DMRK4FA)

Drug Name
N-(2-aminoethyl)-1-aziridine-ethanamine
Synonyms NAAE; N-(2-aminoethyl)-1-aziridineethanamine
Indication
Disease Entry ICD 11 Status REF
Severe acute respiratory syndrome (SARS) 1D65 Investigative [1]
Therapeutic Class
Antiviral Agents
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 129.199
Logarithm of the Partition Coefficient (xlogp) -1.3
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C6H15N3
IUPAC Name
N'-[2-(aziridin-1-yl)ethyl]ethane-1,2-diamine
Canonical SMILES
C1CN1CCNCCN
InChI
InChI=1S/C6H15N3/c7-1-2-8-3-4-9-5-6-9/h8H,1-7H2
InChIKey
XJNAQZHMIAKQOK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
98888
ChEBI ID
CHEBI:145998
CAS Number
23435-23-6
TTD ID
D05JBC

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
HUMAN angiotensin-converting enzyme 2 (ACE2) TTYRG7F ACE2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Coronaviruses - drug discovery and therapeutic options. Nat Rev Drug Discov. 2016 May;15(5):327-47.