General
Preferred name
(5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE
Synonyms
compound 39a [PMID: 15634016] ()
1-[5-(Pyridin-3-yl)furan-2-yl]methanamine dihydrochloride ()
P&D ID
PD005617
CAS
837376-48-4
859239-17-1
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
experimental
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)
DESCRIPTION
Compound 39a is a potent and reasonably selective inhibitor of human cytochrome P450 2A6 (CYP2A6), structurally related to .
(GtoPdb)
DESCRIPTION
Inhibits cytochrome P-450 2A6 with Ki= 0.04 µM.
(Enamine Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
5
DrugBank
DrugMAP
Enamine Bioactive Compounds
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
19
Molecular Weight
174.08
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
2
Aromatic Ring Count
2
cLogP
1.8
TPSA
52.05
Fraction CSP3
0.1
Chiral centers
0.0
Largest ring
6.0
QED
0.75
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
