General
Preferred name
TB 21007
Synonyms
IA-ALPHA-5-2 ()
P&D ID
PD070323
CAS
207306-50-1
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)
DESCRIPTION Binds voltage-dependent anion channel (VDAC) (Tocris Bioactive Compound Library)
Compound Sets
3
Cayman Chemical Bioactives
ReFrame library
Tocris Bioactive Compound Library
External IDs
13
Properties
(calculated by RDKit )
Molecular Weight
339.04
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
2
cLogP
4.11
TPSA
50.19
Fraction CSP3
0.47
Chiral centers
0.0
Largest ring
6.0
QED
0.85
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Primary Target
GABAA Receptors
MOA
Inverse Agonist
Source data