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Compound Detail

CHEMBL5874253

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FC(F)(F)c1ccnc(Nc2cc(C3CCCN(C4COC4)C3)nc(C3CCC3)n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5874253
Phase Preclinical
Structure Type MOL
InChI Key AVPAXNCNRZGHCB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

433.5
MW (Da)
4.48
ALogP
6
HBA
1
HBD
63.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26F3N5O
MW 433.48
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.00

Activity Summary

Ki 1 meas. best 7.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase kinase kinase 12
CHEMBL1908389
 Ki 7.58 7.58 26.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase kinase kinase 12 Ki = 26.0 nM 7.58 TR-FRET assay: DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tag... -

Data from ChEMBL 36 via Core Engine