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Compound Detail

CHEMBL5632327

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O=c1[nH]c2nccc3c2n1-c1cccc(n1)OCCCCO3

Basic Information

ChEMBL ID CHEMBL5632327
Phase Preclinical
Structure Type MOL
InChI Key NJWZVHYJFAASMX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
1.66
ALogP
6
HBA
1
HBD
82.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14N4O3
MW 298.30
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.69

Activity Summary

IC50 1 meas. best 8.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C theta type
CHEMBL3920
IC50 8.04 8.04 9.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C theta type IC50 = 9.2 nM 8.04 Inhibition of PKC theta (unknown origin) in presence of ATP at Km 38307441

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 No relevant target 1

Data from ChEMBL 36 via Core Engine