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Compound Detail

CHEMBL3905652

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NC[C@@H](c1ccc(C(F)(F)F)cc1)C1CCN(c2ncnc(N)c2-c2cn[nH]c2)CC1

Basic Information

ChEMBL ID CHEMBL3905652
Phase Preclinical
Structure Type MOL
InChI Key CBGPEGDCORSVLT-KRWDZBQOSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

431.5
MW (Da)
3.43
ALogP
6
HBA
3
HBD
109.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24F3N7
MW 431.47
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.97

Activity Summary

IC50 3 meas. best 8.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ribosomal protein S6 kinase beta-1
CHEMBL4501
IC50 8.33 8.33 4.7 2
Unchecked
CHEMBL612545
IC50 8.33 8.33 4.7 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine