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Compound Detail

CHEMBL4225389

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Clc1n[nH]c2cccc(Br)c12

Basic Information

ChEMBL ID CHEMBL4225389
Phase Preclinical
Structure Type MOL
InChI Key VEZIBLSUFZJVBD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

231.5
MW (Da)
2.98
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H4BrClN2
MW 231.48
Aromatic Rings 2
Heavy Atoms 11
NP-Likeness -1.19

Activity Summary

IC50 1 meas. best 3.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3-phosphoinositide-dependent protein kinase 1
CHEMBL2534
IC50 3.79 3.79 163600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
29150397 10.1016/j.bmcl.2017.10.041 3-phosphoinositide-dependent protein kinase 1 1

Data from ChEMBL 36 via Core Engine