General
Preferred name
BDA-366
Synonyms
P&D ID
PD065670
CAS
1909226-00-1
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)
PRICE 163
DESCRIPTION BDA-366, a potent Bcl2 antagonist, selectively binds the Bcl2-BH4 domain with high affinity (Ki = 3.3 nM), inducing a conformational change that nullifies its antiapoptotic function, thereby transforming it into a pro-apoptotic entity. This compound effectively suppresses lung cancer cell growth[1]. (TargetMol Bioactive Compound Library)
Compound Sets
4
Cayman Chemical Bioactives
35420
MedChem Express Bioactive Compound Library
HY-101083
Selleckchem Bioactive Compound Library
bda-366
TargetMol Bioactive Compound Library
T6778
External IDs
9
Properties
(calculated by RDKit )
Molecular Weight
423.22
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
3
Rotatable Bonds
10
Ring Count
4
Aromatic Ring Count
2
cLogP
2.39
TPSA
94.2
Fraction CSP3
0.42
Chiral centers
2.0
Largest ring
6.0
QED
0.43
Structural alerts
2
anthranil_one_A(38)
c:1:c:c:c:c(:c:1-[#7&!H0;!H1,!$([#7]-[#6]=[#8])])-[#6](-[#6]:[#6])=[#8]
PAINS Family B
quinone_A(370)
[!#6&!#1]=[#6]1[#6]=,:[#6][#6](=[!#6&!#1])[#6]=,:[#6]1
PAINS Family A
Custom attributes
(extracted from source data)
Target
Bcl-2 Family
Bcl-2
MOA
BCL inhibitor
Pathway
Apoptosis
Source data