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Compound Detail

CHEMBL3685328

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CNC[C@@H](Nc1ncnc2c(C(N)=O)cc(OC)cc12)c1cccc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3685328
Phase Preclinical
Structure Type MOL
InChI Key KTEVQEUEMLYYMP-MRXNPFEDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

385.9
MW (Da)
2.76
ALogP
6
HBA
3
HBD
102.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20ClN5O2
MW 385.86
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.81

Activity Summary

IC50 1 meas. best 9.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ribosomal protein S6 kinase beta-1
CHEMBL4501
 IC50 9.7 9.7 0.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ribosomal protein S6 kinase beta-1 IC50 = 0.2 nM 9.7 Enzyme Assay: P70S6K inhibitor compounds are diluted and plated in 96 well plate... -

Data from ChEMBL 36 via Core Engine