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Compound Detail

CHEMBL3673603

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CC1CCNC(=O)c2cc3ccc(C(=O)Nc4cnn(C)c4)nc3n21

Basic Information

ChEMBL ID CHEMBL3673603
Phase Preclinical
Structure Type MOL
InChI Key IEWJUSIVLMUWOD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
1.72
ALogP
6
HBA
2
HBD
93.8
PSA (Ų)
0.74
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 C17H18N6O2
MW 338.37
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.34

Activity Summary

IC50 1 meas. best 9.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ribosomal protein S6 kinase alpha-3
CHEMBL2345
IC50 9.11 9.11 0.8 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine