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Compound Detail

CHEMBL6009652

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CC1C(=O)Nc2ncnc(N3CCC(c4nc(-c5ccoc5)ccc4NCCN4CCCC4)CC3)c21

Basic Information

ChEMBL ID CHEMBL6009652
Phase Preclinical
Structure Type MOL
InChI Key PAOJZRPLNNXONF-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

487.6
MW (Da)
4.08
ALogP
8
HBA
2
HBD
99.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H33N7O2
MW 487.61
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.91

Activity Summary

IC50 3 meas. best 9.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ribosomal protein S6 kinase alpha-1
CHEMBL2553
IC50 9.3 9.3 0.5 1
RAC-alpha serine/threonine-protein kinase
CHEMBL4282
IC50 9.05 9.05 0.9 1
Unchecked
CHEMBL612545
IC50 8.77 8.77 1.7 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine