General
Preferred name
Beta-aminopropionitrile
Synonyms
3-AMINOPROPIONITRILE FUMARATE ()
Di-¦Â-aminopropionitrile fumarate ()
¦Â-Aminopropionitrile fumarate ()
¦Â-Ammoniumpropionitrile hemifumarate ()
3-Aminopropionitrile ()
BAPN ()
3-Aminopropionitrile fumarate 2:1 ()
Beta-Aminopropionitrile fumarate ()
Di-β-aminopropionitrile fumarate ()
β-Aminopropionitrile fumarate ()
β-Ammoniumpropionitrile hemifumarate ()
3-Aminopropionitrile fumarate (2:1) ()
Di-??aminopropionitrile fumarate ()
??Aminopropionitrile fumarate ()
??Ammoniumpropionitrile hemifumarate ()
β-Aminopropionitrile ()
¦Â-Aminopropionitrile ()
??-Aminopropionitrile ()
P&D ID
PD029229
CAS
1119-28-4
151-18-8
68130-66-5
68130-65-4
2079-89-2
Tags
available
covalent binder
drug candidate
Approved by
FDA
Drug indication
Cardiac arrest
Drug Status
vet_approved
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE
29
DESCRIPTION
3-Aminopropionitrile fumarate (2:1) [??-Aminopropionitrile fumarate] is an organic compound and antirheumatic agent utilized in veterinary medicine.
DESCRIPTION
¦Â-Aminopropionitrile (BAPN) is a specific, irreversible and orally active lysyl oxidase (LOX) inhibitor. ¦Â-Aminopropionitrile targets the active site of LOX or LOXL isoenzymes[1][2].
PRICE
29
DESCRIPTION
??-Aminopropionitrile (3-Aminopropionitrile) is a selective inhibitor of lysyl oxidase.
DESCRIPTION
Transformed to cyanide by cytochrome P450 in liver
(LOPAC library)
DESCRIPTION
3-Aminopropionitrile fumarate (2:1) [β-Aminopropionitrile fumarate] is an organic compound and antirheumatic agent utilized in veterinary medicine.
(TargetMol Bioactive Compound Library)
DESCRIPTION
β-Aminopropionitrile (3-Aminopropionitrile) is a selective inhibitor of lysyl oxidase.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
12
CovalentInDB
DrugCentral
DrugMAP
LOPAC library
Mcule NIBR MoA Box Subset
Novartis Chemogenetic Library (NIBR MoA Box)
Other bioactive compounds
ReFrame library
Selleckchem Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
62
Molecular Weight
70.05
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
0
Aromatic Ring Count
0
cLogP
-0.14
TPSA
49.81
Fraction CSP3
0.67
Chiral centers
0.0
Largest ring
0.0
QED
0.47
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
CYP450
Target
Human Endogenous Metabolite
Endogenous Metabolite
Monoamine Oxidase
MMP
Member status
member
MOA
LOX inhibitor
Pathway
Metabolic Enzyme/Protease
Metabolism
Neuronal Signaling
Source data
