General
Preferred name
CP 945598 hydrochloride
Synonyms
Otenabant (Hydrochloride) ()
Otenabant (CP-945598) HCl ()
OTENABANT ()
OTENABANT HYDROCHLORIDE ()
CP-945598 ()
CP-945,598 ()
Otenabant hcl ()
CP 945,598 (hydrochloride) ()
P&D ID
PD016427
CAS
686347-12-6
919516-56-6
686344-29-6
Tags
available
drug candidate
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 H1 antagonist; ocular antiallergic agent (Tocris Bioactive Compound Library)
Compound Sets
7
AdooQ Bioactive Compound Library
A11942
Axon Medchem Screening Library
2119
Cayman Chemical Bioactives
11955
ChEMBL Drugs
CHEMBL2103817
Selleckchem Bioactive Compound Library
cp-945598-hcl
TargetMol Bioactive Compound Library
T1796
Tocris Bioactive Compound Library
4236
External IDs
15
Properties
(calculated by RDKit )
Molecular Weight
545.13
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
2
Rotatable Bonds
6
Ring Count
5
Aromatic Ring Count
4
cLogP
4.64
TPSA
101.96
Fraction CSP3
0.28
Chiral centers
0.0
Largest ring
6.0
QED
0.37
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Neuronal Signaling
GPCR/G protein
Target
hCB1
hCB2
rCB1
CB1 antagonist
Cannabinoid Receptor
Primary Target
CB1 Receptors
MOA
Cannabinoid Receptor antagonist
Antagonist
Source data