General
Preferred name
nicotine
Synonyms
Nicotine-(+) ()
http://www.selleckchem.com/products/nicotiN/A ()
[3H]nicotine ()
[3H]nicotine ()
nicotine, Neuraltus ()
?(±)-Nicotine-d3 ()
(±)?-Nicotine ()
(+/-)NICOTINE ()
P&D ID
PD010183
CAS
54-11-5
22083-74-5
13890-81-8
69980-24-1
Tags
available
natural product
drug candidate
Drug indication
Discovery agent
Drug Status
investigational
Max Phase
2.0
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
11
ChEMBL Drugs
Concise Guide to Pharmacology 2017/18
DrugMAP
DrugMatrix
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
JUMP-Target 1 Compound Set
Ki Database
Other bioactive compounds
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
48
Properties
(calculated by RDKit )
Molecular Weight
162.12
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
2
Aromatic Ring Count
1
cLogP
1.85
TPSA
16.13
Fraction CSP3
0.5
Chiral centers
1.0
Largest ring
6.0
QED
0.63
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
TBXAS1
Source data
