General
Preferred name
BI-4659
Synonyms
BI00034659 ()
P&D ID
PD086456
Tags
probe
available
free of charge
Probe info
Probe type
experimental probe
Probe sources
High-quality chemical probes
opnMe Portal
Probe targets
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 BI-4659 is a potent inhibitor of Alk5 (TGFßR1) with an IC value of 19 nM and shows selectivity against a broad panel of other kinases (see Selectivity section). BI-4659 blocks the phosphorylation of Smad2 and Smad3 in HaCaT cells with an EC of 185 nM. Together with the offered negative control BI-4101, BI-4659 is a suitable tool to test biological hypotheses in vitro. (BI-4659 = compound , BI-4104 = compound in reference 1).
DESCRIPTION BI-4659 is a potent inhibitor of Alk5 (TGFßR1) with an IC50 value of 19 nM and shows selectivity against a broad panel of other kinases (see Selectivity section). BI-4659 blocks the phosphorylation of Smad2 and Smad3 in HaCaT cells with an EC50 of 185 nM. Together with the offered negative control BI-4101, BI-4659 is a suitable tool to test biological hypotheses in vitro.1 (BI-4659 = compound 47i, BI-4104 = compound 48 in reference 1). (opnMe Portal)
Compound Sets
4
CZ-OPENSCREEN Bioactive Library
EUbOPEN Chemogenomics Library
EUB0001501
High-quality chemical probes
PD086456
opnMe Portal
alk5-inhibitor-bi-4659
External IDs
5
Properties
(calculated by RDKit )
Molecular Weight
440.22
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
3
Rotatable Bonds
7
Ring Count
4
Aromatic Ring Count
3
cLogP
4.43
TPSA
73.47
Fraction CSP3
0.19
Chiral centers
0.0
Largest ring
6.0
QED
0.48
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
ALK5
Recommended Cell Concentration
None
Source data