General Information of Drug (ID: DMTE3UV)

Drug Name
BI 1467335
Synonyms
PXS-4728A; 1478364-68-9; BI-1467335 HCl; UNII-6W2049SJPH; 6W2049SJPH; PXS 4728A; 1478364-68-9 (HCl); (E)-4-((2-(Aminomethyl)-3-fluoroallyl)oxy)-N-(tert-butyl)benzamide hydrochloride; PXS 4728 HCl; BI-1467335 hydrochloride; CHEMBL3897599; SCHEMBL16766775; EX-A4639; AC-31510; Benzamide, 4-(((2E)-2-(aminomethyl)-3-fluoro-2-propen-1-yl)oxy)-N-(1,1-dimethylethyl)-, hydrochloride (1:1); HY-112726; CS-0062985; Q27265609; (E)-4-(2-(aminomethyl)-3-fluoroallyloxy)-N-tert-butylbenzamide hydrochloride
Indication
Disease Entry ICD 11 Status REF
Diabetic retinopathy 9B71.0 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0
Molecular Weight 316.8
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 6
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Chemical Identifiers
Formula
C15H22ClFN2O2
IUPAC Name
4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-tert-butylbenzamide;hydrochloride
Canonical SMILES
CC(C)(C)NC(=O)C1=CC=C(C=C1)OC/C(=C/F)/CN.Cl
InChI
InChI=1S/C15H21FN2O2.ClH/c1-15(2,3)18-14(19)12-4-6-13(7-5-12)20-10-11(8-16)9-17;/h4-8H,9-10,17H2,1-3H3,(H,18,19);1H/b11-8+;
InChIKey
AEMZEDNMNLIDSL-YGCVIUNWSA-N
Cross-matching ID
PubChem CID
71812246
CAS Number
1478364-68-9
TTD ID
DM3J5I

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Membrane copper amine oxidase (AOC3) TT7HC21 AOC3_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Diabetic retinopathy
ICD Disease Classification 9B71.0
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Membrane copper amine oxidase (AOC3) DTT AOC3 8.36E-22 -1.03 -1.54
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of Boehringer Ingelheim.