Details of the Drug

General Information of Drug (ID: DM42IY7)

Drug Name
1-Guanidinium-7-Aminoheptane
Synonyms 1-Guanidinium-7-aminoheptane; 1-GUANIDINIUM-7-AMINOHEPTANE; AC1NRBDQ; N-(7-aminoheptyl)methanetriamine; N"-(7-aminoheptyl)methanetriamine; GC7
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) 174.29
Logarithm of the Partition Coefficient (xlogp) -0.8
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C8H22N4
IUPAC Name
N'-(7-aminoheptyl)methanetriamine
Canonical SMILES
C(CCCN)CCCNC(N)N
InChI
InChI=1S/C8H22N4/c9-6-4-2-1-3-5-7-12-8(10)11/h8,12H,1-7,9-11H2
InChIKey
SKGAVCHIFDRDTK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5288371
DrugBank ID
DB03639
TTD ID
D00UDX

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Deoxyhypusine synthase (DHPS) TTBO2A9 DHYS_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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