General
Preferred name
RS-39604
Synonyms
RS 39604 hydrochloride ()
P&D ID
PD070951
CAS
167710-87-4
161362-65-8
Tags
available
drug candidate
Drug Status
investigational
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
5-HT1B antagonist
(Tocris Bioactive Compound Library)
DESCRIPTION
5-HT4 antagonist
(Tocriscreen Total)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
7
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
31
Properties
(calculated by RDKit )
Molecular Weight
553.2
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
2
Rotatable Bonds
13
Ring Count
3
Aromatic Ring Count
2
cLogP
3.74
TPSA
120.19
Fraction CSP3
0.5
Chiral centers
0.0
Largest ring
6.0
QED
0.28
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Primary Target
5-HT4 Receptors
MOA
Antagonist
HTR4 antagonist
serotonin receptor antagonist
Member status
virtual
Target
HTR4
Source data