General
Preferred name
MRT-68601
Synonyms
PMID23099093C17d ()
compound 17d [PMID: 23099093] ()
MRT 68601 hydrochloride ()
P&D ID
PD048387
Tags
available
drug candidate
Drug indication
Discovery agent
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
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Compound 17d is an analogue assessed in a medicinal chemistry study to find novel, potent inhibitors of the TANK-binding kinase 1 (TBK1) and IKK-epsilon (IKKε) kinases .
(GtoPdb)
DESCRIPTION
Compound 17d is an analogue assessed in a medicinal chemistry study to find novel, potent inhibitors of the TANK-binding kinase 1 (TBK1) and IKK-epsilon (IKKε) related kinases .
DESCRIPTION
MRT 68601 hydrochloride is a potent TBK1 (TANK-binding kinase-1) inhibitor (IC50 = 6 nM).
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
4
BOC Sciences Bioactive Compounds
CZ-OPENSCREEN Bioactive Library
DrugMAP
Guide to Pharmacology
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
13
Molecular Weight
450.27
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
3
Rotatable Bonds
10
Ring Count
5
Aromatic Ring Count
2
cLogP
3.65
TPSA
91.41
Fraction CSP3
0.56
Chiral centers
0.0
Largest ring
6.0
QED
0.48
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
