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Compound Detail

CHEMBL3798933

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CCN1c2cc(-n3c(=O)[nH]c4ncccc43)ccc2C(=O)NC1(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3798933
Phase Preclinical
Structure Type MOL
InChI Key GILPLWUKAXFPKQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
18
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
2.02
ALogP
5
HBA
2
HBD
83.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19N5O2
MW 337.38
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.70

Activity Summary

IC50 1 meas. best 6.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C theta type
CHEMBL3920
 IC50 6.58 6.58 260.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase C theta type IC50 = 260.0 nM 6.58 Inhibition of N-terminal FLAG-tagged PKCtheta (unknown origin) expressed in bacu... 27117263

Literature References

PubMed DOI Target Context # Activities
27117263 10.1016/j.bmc.2016.04.008 Protein kinase C theta type 2
27117263 10.1016/j.bmc.2016.04.008 Aurora kinase B 1
27117263 10.1016/j.bmc.2016.04.008 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1
27117263 10.1016/j.bmc.2016.04.008 Cell division cycle 7-related protein kinase 1
27117263 10.1016/j.bmc.2016.04.008 Glycogen synthase kinase-3 beta 1
27117263 10.1016/j.bmc.2016.04.008 Mitogen-activated protein kinase 14 1
27117263 10.1016/j.bmc.2016.04.008 CDK2/Cyclin A2 1
27117263 10.1016/j.bmc.2016.04.008 Mitogen-activated protein kinase 3 1
27117263 10.1016/j.bmc.2016.04.008 MAP kinase-activated protein kinase 2 1
27117263 10.1016/j.bmc.2016.04.008 Rho-associated protein kinase 1 1
27117263 10.1016/j.bmc.2016.04.008 Unchecked 1
27117263 10.1016/j.bmc.2016.04.008 Casein kinase I isoform delta 1
27117263 10.1016/j.bmc.2016.04.008 Mitogen-activated protein kinase kinase kinase 5 1
27117263 10.1016/j.bmc.2016.04.008 Dual specificity mitogen-activated protein kinase kinase 1 1
27117263 10.1016/j.bmc.2016.04.008 High affinity nerve growth factor receptor 1
27117263 10.1016/j.bmc.2016.04.008 Interleukin-1 receptor-associated kinase 4 1
27117263 10.1016/j.bmc.2016.04.008 Focal adhesion kinase 1 1
27117263 10.1016/j.bmc.2016.04.008 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine