Details of the Drug

General Information of Drug (ID: DMQI2F4)

Drug Name
BEPH
Synonyms MDL-28314; N,N'-Bis[3-(ethylamino)propyl]-1,7-heptanediamine
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Discontinued in Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 300.5
Logarithm of the Partition Coefficient (xlogp) 1.9
Rotatable Bond Count (rotbonds) 18
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C17H40N4
IUPAC Name
N,N'-bis[3-(ethylamino)propyl]heptane-1,7-diamine
Canonical SMILES
CCNCCCNCCCCCCCNCCCNCC
InChI
InChI=1S/C17H40N4/c1-3-18-14-10-16-20-12-8-6-5-7-9-13-21-17-11-15-19-4-2/h18-21H,3-17H2,1-2H3
InChIKey
WIOJAQYPAPCEMC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
60826
CAS Number
132004-62-7
TTD ID
D0VR5T

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Polyamine unspecific (PLA) TT0DBAO NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800003875)
2 Antitumor activity of a novel synthetic polyamine analogue, N,N'-bis-[3-(ethylamino)-propyl]-1-7-heptane diamine: potentiation by polyamine oxidase inhibitors. Anticancer Res. 1990 Sep-Oct;10(5A):1281-7.