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Compound Detail

CHEMBL3903528

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CN(C)CCCn1c(NC(=O)c2ccc3cc4n(c3c2)C(C)(C)CNC4=O)nc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3903528
Phase Preclinical
Structure Type MOL
InChI Key NWWJMBOCMRICQS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

458.6
MW (Da)
3.67
ALogP
6
HBA
2
HBD
84.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30N6O2
MW 458.57
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.12

Activity Summary

IC50 1 meas. best 9.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ribosomal protein S6 kinase alpha-2
CHEMBL3906
 IC50 9.42 9.42 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ribosomal protein S6 kinase alpha-2 IC50 = 0.38 nM 9.42 Kinase Glo Plus Assay: Human RSK2 protein, purchased from Invitrogen, is used to... -

Data from ChEMBL 36 via Core Engine