Details of the Drug

General Information of Drug (ID: DMOVBSF)

Drug Name
Tresperimus
Synonyms LF-08-0299
Indication
Disease Entry ICD 11 Status REF
Autoimmune diabetes 5A10 Discontinued in Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 387.5
Logarithm of the Partition Coefficient (xlogp) -1.1
Rotatable Bond Count (rotbonds) 18
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C17H37N7O3
IUPAC Name
[2-[6-(diaminomethylideneamino)hexylamino]-2-oxoethyl] N-[4-(3-aminopropylamino)butyl]carbamate
Canonical SMILES
C(CCCN=C(N)N)CCNC(=O)COC(=O)NCCCCNCCCN
InChI
InChI=1S/C17H37N7O3/c18-8-7-10-21-9-5-6-13-24-17(26)27-14-15(25)22-11-3-1-2-4-12-23-16(19)20/h21H,1-14,18H2,(H,22,25)(H,24,26)(H4,19,20,23)
InChIKey
LVBMFPUTQOHXQE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3086680
CAS Number
160677-67-8
TTD ID
D0K0ZB
INTEDE ID
DR1793

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Copper amine oxidase (AOC3)
Main DME 		DE6SOC5 AOC3_HUMAN Substrate [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 800004804)
2 Metabolism of tresperimus by rat aorta semicarbazide-sensitive amine oxidase (SSAO). Fundam Clin Pharmacol. 2002 Dec;16(6):461-70.