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Compound Detail

CHEMBL3969149

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CC1CNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4C)cc3n21

Basic Information

ChEMBL ID CHEMBL3969149
Phase Preclinical
Structure Type MOL
InChI Key UAYPDTAQGNMZQJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
3.08
ALogP
5
HBA
2
HBD
81.0
PSA (Ų)
0.57
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 C21H19N5O2
MW 373.42
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.89

Activity Summary

IC50 1 meas. best 8.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ribosomal protein S6 kinase alpha-2
CHEMBL3906
IC50 8.66 8.66 2.2 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine