General
Preferred name
icilin
Synonyms
AG-3-5 ()
Icilin ()
ICILLIN ()
P&D ID
PD002745
CAS
36945-98-9
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
investigational
Max Phase
3.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Potent agonist at the CMR1 cold- and menthol-sensitive receptor. (LOPAC library)
DESCRIPTION Blocker of VRAC/ICl, swell (Tocris Bioactive Compound Library)
DESCRIPTION Activates a novel cold receptor. Cooling agent (Tocriscreen Total)
Compound Sets
19
AdooQ Bioactive Compound Library
A13560
Cayman Chemical Bioactives
10137
ChEMBL Drugs
CHEMBL258405
Concise Guide to Pharmacology 2017/18
2429
Concise Guide to Pharmacology 2019/20
2429
Concise Guide to Pharmacology 2021/22
2429
Concise Guide to Pharmacology 2023/24
2429
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugMAP
DMYVOL9
EU-OPENSCREEN Bioactive Compound Library
EOS101543
Guide to Pharmacology
2429
LOPAC library
MedChem Express Bioactive Compound Library
HY-11062
Novartis Chemogenetic Library (NIBR MoA Box)
Selleckchem Bioactive Compound Library
icilin
TargetMol Bioactive Compound Library
T1814
Tocris Bioactive Compound Library
1531
Tocriscreen Total
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
311.09
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
2
cLogP
2.87
TPSA
95.71
Fraction CSP3
0.06
Chiral centers
0.0
Largest ring
6.0
QED
0.67
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Selectivity
CMR1
Pathway
Membrane Transporter/Ion Channel
Neuronal Signaling
Target
TRPM8
TRPA1, TRPM8
TRP Channel
Primary Target
TRPA1
MOA
Activator
TRPA1 Agonists
TRPM8 agonist
Induction of Brown Adipose Tissue (BAT) thermogenesis
TRPV agonist
Member status
member
Source data