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Compound Detail

CHEMBL3986206

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Nc1ncnc(N2CCC(C(OCCN3CCCC3)c3ccc(F)cc3)CC2)c1-c1ccc(F)cc1

Basic Information

ChEMBL ID CHEMBL3986206
Phase Preclinical
Structure Type MOL
InChI Key PHGMRDAIDMWPRB-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

493.6
MW (Da)
5.07
ALogP
6
HBA
1
HBD
67.5
PSA (Ų)
0.47
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H33F2N5O
MW 493.60
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.80

Activity Summary

IC50 3 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ribosomal protein S6 kinase beta-1
CHEMBL4501
IC50 7.96 7.96 11.0 2
Unchecked
CHEMBL612545
IC50 7.96 7.96 11.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine