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Compound Detail

CHEMBL5170263

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O=C1NCCc2c1cc(-c1ccncc1)n2Cc1ccccc1

Basic Information

ChEMBL ID CHEMBL5170263
Phase Preclinical
Structure Type MOL
InChI Key SRUDZBMASYXMNS-UHFFFAOYSA-N
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

303.4
MW (Da)
2.88
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N3O
MW 303.37
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.60

Activity Summary

IC50 2 meas. best 6.19
Ki 2 meas. best 6.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase N2
CHEMBL3032
Ki 6.5 6.5 320.0 1
Serine/threonine-protein kinase N2
CHEMBL3032
IC50 6.19 6.19 640.0 1
Serine/threonine-protein kinase N1
CHEMBL3384
Ki 5.82 5.82 1500.0 1
Serine/threonine-protein kinase N1
CHEMBL3384
IC50 5.52 5.52 3000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35104640 10.1016/j.bmcl.2022.128588 Serine/threonine-protein kinase N2 2
35104640 10.1016/j.bmcl.2022.128588 Serine/threonine-protein kinase N1 2
35104640 10.1016/j.bmcl.2022.128588 Unchecked 1

Data from ChEMBL 36 via Core Engine