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
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 5-HT1B antagonist (Tocris Bioactive Compound Library)
DESCRIPTION 5-HT4 antagonist (Tocriscreen Total)
Compound Sets
7
Drug Repurposing Hub
DrugBank
DrugMatrix
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
Tocris Bioactive Compound Library
Tocriscreen Total
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