General
Preferred name
PFE-PKIS43
Synonyms
PFE-PKIS 43 ()
2-([6-[4-(Methylsulfanyl)phenyl]thieno[3,2-d]pyrimidin-4-yl]sulfanyl)acetic acid ()
P&D ID
PD076620
CAS
1337875-42-9
Tags
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
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Description
(extracted from source data)
DESCRIPTION
2-([6-[4-(Methylsulfanyl)phenyl]thieno[3,2-d]pyrimidin-4-yl]sulfanyl)acetic acid inhibits MAP3K8 with IC50= 34µM. It also binds to STK17B and STK17A with Kd values of 3.8 and 230 nM, respectively.
(Enamine Bioactive Compounds)
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[[ compound.targets[tid].gene_name ]]
Compound Sets
3
Enamine Bioactive Compounds
EUbOPEN Chemogenomics Library
Kinase Chemogenomic Set (KCGS 08/2017, in progress)
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
6
Molecular Weight
348.01
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
3
Aromatic Ring Count
3
cLogP
4.26
TPSA
63.08
Fraction CSP3
0.13
Chiral centers
0.0
Largest ring
6.0
QED
0.55
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Recommended Cell Concentration
None
Source data
