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Compound Detail

CHEMBL5632134

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CC1CCN(C)c2ccnc3ccc(nc23)-n2c(=O)[nH]c3nccc(c32)O1

Basic Information

ChEMBL ID CHEMBL5632134
Phase Preclinical
Structure Type MOL
InChI Key YQOOLLWMVHTWOY-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
2.26
ALogP
7
HBA
1
HBD
88.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N6O2
MW 362.39
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.61

Activity Summary

IC50 4 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C theta type
CHEMBL3920
IC50 9.0 8.595 1.0 2
Protein kinase C alpha type
CHEMBL299
IC50 7.09 6.56 82.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38307441 10.1016/j.bmcl.2024.129630 Protein kinase C theta type 3
38307441 10.1016/j.bmcl.2024.129630 ADMET 3
38307441 10.1016/j.bmcl.2024.129630 Protein kinase C alpha type 2
38307441 10.1016/j.bmcl.2024.129630 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine