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Compound Detail

CHEMBL3932608

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NCC(c1ccc(C(F)(F)F)cc1)N1CCN(c2ncnc(N)c2C2=CCCC2)CC1

Basic Information

ChEMBL ID CHEMBL3932608
Phase Preclinical
Structure Type MOL
InChI Key IIZJUCZMRWRRHC-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

432.5
MW (Da)
3.47
ALogP
6
HBA
2
HBD
84.3
PSA (Ų)
0.75
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 C22H27F3N6
MW 432.49
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.97

Activity Summary

IC50 3 meas. best 8.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ribosomal protein S6 kinase beta-1
CHEMBL4501
IC50 8.47 8.47 3.4 2
Unchecked
CHEMBL612545
IC50 8.47 8.47 3.4 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine