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Compound Detail

CHEMBL1526703

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CCOC(=O)N1CCN(C(=O)C2CCC(Cn3c(=S)[nH]c4ccccc4c3=O)CC2)CC1

Basic Information

ChEMBL ID CHEMBL1526703
Phase Preclinical
Structure Type MOL
InChI Key NGQCWZMNIAGKSH-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

458.6
MW (Da)
3.17
ALogP
6
HBA
1
HBD
87.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30N4O4S
MW 458.58
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.36

Activity Summary

IC50 2 meas. best 5.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL2637
IC50 5.49 5.49 3259.0 1
Unchecked
CHEMBL612545
IC50 4.12 4.12 76620.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine