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Compound Detail

CHEMBL5189795

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CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCNCC3)cc2)ncc1Cl

Basic Information

ChEMBL ID CHEMBL5189795
Phase Preclinical
Structure Type MOL
InChI Key FCLOIQHNUARDSR-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

437.9
MW (Da)
3.39
ALogP
7
HBA
4
HBD
94.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24ClN7O
MW 437.94
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.67

Activity Summary

IC50 2 meas. best 6.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 8
CHEMBL2276
IC50 6.55 6.55 280.0 1
Mitogen-activated protein kinase 10
CHEMBL2637
IC50 6.43 6.43 370.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35764033 10.1016/j.bmc.2022.116894 Mitogen-activated protein kinase 10 1
37776574 10.1016/j.ejmech.2023.115779 Mitogen-activated protein kinase 8 1

Data from ChEMBL 36 via Core Engine