General
Preferred name
NORNICOTINE
Synonyms
3-(2-pyrrolidinyl)-(s)-pyridine ()
1'-demethylnicotine ()
Nicotine related compound f ()
(?)-Nornicotine ()
(?)-Nornicotine-d4 ()
P&D ID
PD003066
CAS
5746-86-1
494-97-3
66148-18-3
Tags
available
drug candidate
Drug Status
investigational
Max Phase
1.0
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
4
ChEMBL Drugs
Enamine BioReference Compounds
NIH Clinical Collections (NCC)
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
148.1
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
2
Aromatic Ring Count
1
cLogP
1.51
TPSA
24.92
Fraction CSP3
0.44
Chiral centers
1.0
Largest ring
6.0
QED
0.65
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
