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Compound Detail

CHEMBL5190298

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Clc1ccnc(-n2ccc3ncncc32)n1

Basic Information

ChEMBL ID CHEMBL5190298
Phase Preclinical
Structure Type MOL
InChI Key LXPVLMCYPWKNBD-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

231.7
MW (Da)
1.86
ALogP
5
HBA
0
HBD
56.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H6ClN5
MW 231.65
Aromatic Rings 3
Heavy Atoms 16
NP-Likeness -1.48

Activity Summary

IC50 2 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ribosomal protein S6 kinase alpha-5
CHEMBL4237
IC50 8.0 8.0 10.0 1
Ribosomal protein S6 kinase alpha-4
CHEMBL3125
IC50 7.1 7.1 79.4 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35859861 10.1021/acsmedchemlett.2c00134 Ribosomal protein S6 kinase alpha-5 11
35859861 10.1021/acsmedchemlett.2c00134 Ribosomal protein S6 kinase alpha-4 2
35859861 10.1021/acsmedchemlett.2c00134 Ribosomal protein S6 kinase alpha-1 2
35859861 10.1021/acsmedchemlett.2c00134 AP2-associated protein kinase 1 1
35859861 10.1021/acsmedchemlett.2c00134 Receptor-type tyrosine-protein kinase FLT3 1
35859861 10.1021/acsmedchemlett.2c00134 Serine/threonine-protein kinase haspin 1
35859861 10.1021/acsmedchemlett.2c00134 Mitogen-activated protein kinase kinase kinase kinase 2 1
35859861 10.1021/acsmedchemlett.2c00134 Dual specificity mitogen-activated protein kinase kinase 5 1
35859861 10.1021/acsmedchemlett.2c00134 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform 1
35859861 10.1021/acsmedchemlett.2c00134 Serine/threonine-protein kinase PLK2 1
35859861 10.1021/acsmedchemlett.2c00134 Receptor-interacting serine/threonine-protein kinase 4 1
35859861 10.1021/acsmedchemlett.2c00134 Serine/threonine-protein kinase VRK2 1
35859861 10.1021/acsmedchemlett.2c00134 Mitogen-activated protein kinase kinase kinase 19 1
35859861 10.1021/acsmedchemlett.2c00134 Unchecked 1

Data from ChEMBL 36 via Core Engine