General
Preferred name
Doxapram HCl
Synonyms
AHR-619 ()
Doxapram hydrochloride monohydrate ()
Doxapram hydrochloride ()
Doxapram hydrochloride hydrate ()
P&D ID
PD003017
CAS
113-07-5
7081-53-0
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 29
DESCRIPTION Doxapram hydrochloride hydrate (Doxapram HCl) effectively inhibits the function of TASK-1, TASK-3, and TASK-1/TASK-3 heterodimeric channels, displaying EC50 values of 410 nM, 37 ??M, and 9 ??M, respectively.
DESCRIPTION Doxapram hydrochloride hydrate (Doxapram HCl) effectively inhibits the function of TASK-1, TASK-3, and TASK-1/TASK-3 heterodimeric channels, displaying EC50 values of 410 nM, 37 μM, and 9 μM, respectively. (TargetMol Bioactive Compound Library)
Compound Sets
4
NIH Clinical Collections (NCC)
Prestwick Chemical Library
TargetMol Bioactive Compound Library
The Spectrum Collection
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
414.21
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
6
Ring Count
4
Aromatic Ring Count
2
cLogP
3.6
TPSA
32.78
Fraction CSP3
0.46
Chiral centers
1.0
Largest ring
6.0
QED
0.72
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Potassium Channel
TASK-1
TASK-1/TASK-3 heterodimeric
TASK-3
Pathway
Membrane Transporter/Ion Channel
Source data