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Compound Detail

CHEMBL3916166

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Nc1ncnc(N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1-c1ccc(F)cc1

Basic Information

ChEMBL ID CHEMBL3916166
Phase Preclinical
Structure Type MOL
InChI Key WWDOLCUGSDRCRP-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

431.4
MW (Da)
4.21
ALogP
5
HBA
1
HBD
58.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21F4N5
MW 431.44
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.31

Activity Summary

IC50 3 meas. best 8.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ribosomal protein S6 kinase beta-1
CHEMBL4501
IC50 8.14 8.14 7.2 2
Unchecked
CHEMBL612545
IC50 8.14 8.14 7.2 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine