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Compound Detail

CHEMBL3959915

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CC1CNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5[nH]4)cc3n21

Basic Information

ChEMBL ID CHEMBL3959915
Phase Preclinical
Structure Type MOL
InChI Key QLEJMZSGBHLAJO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
3.07
ALogP
4
HBA
3
HBD
91.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17N5O2
MW 359.39
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.81

Activity Summary

IC50 1 meas. best 9.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ribosomal protein S6 kinase alpha-2
CHEMBL3906
IC50 9.23 9.23 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine