General
Preferred name
ISAMOLTAN
Synonyms
Isamoltane, (-)-isomer ()
Isamoltane hemifumarate ()
isamoltane ()
CGP 361A ()
P&D ID
PD014540
CAS
874882-92-5
55050-95-8
116861-00-8
55050-96-9
99740-06-4
Tags
available
drug candidate
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()] ]]
Description
(extracted from source data)
DESCRIPTION
5-HT1A and 5-HT1B antagonist; also beta-adrenergic antagonist
(Tocris Bioactive Compound Library)
DESCRIPTION
5-HT1B antagonist
(Tocriscreen Total)
DESCRIPTION
Isamoltane hemifumarate, an analog of isamoltane, is a beta-adrenoceptor ligand with approximately 30-fold selective over 5-HT1A.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
8
BOC Sciences Bioactive Compounds
ChEMBL Drugs
DrugMatrix
Ki Database
NPC Screening Collection
ReFrame library
Tocris Bioactive Compound Library
Tocriscreen Total
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
31
Molecular Weight
274.17
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
7
Ring Count
2
Aromatic Ring Count
2
cLogP
2.21
TPSA
46.42
Fraction CSP3
0.38
Chiral centers
1.0
Largest ring
6.0
QED
0.81
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Primary Target
5-HT1B Receptors
MOA
Antagonist
Source data
