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Compound Detail

CHEMBL1969264

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CC(C)(C)NC(=O)c1ccc2nc3[nH]c4ccccc4c3nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1969264
Phase Preclinical
Structure Type MOL
InChI Key XUGXUDSTKPTWNB-UHFFFAOYSA-N
20
Targets
20
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
3.79
ALogP
3
HBA
2
HBD
70.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N4O
MW 318.38
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.20

Activity Summary

Ki 20 meas. best 8.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Casein kinase II subunit alpha
CHEMBL3629
 Ki 8.2 8.2 6.3 1
Serine/threonine-protein kinase PLK4
CHEMBL3788
 Ki 6.9 6.9 125.9 1
Death-associated protein kinase 3
CHEMBL2468
 Ki 6.6 6.6 251.2 1
Aurora kinase B
CHEMBL2185
 Ki 6.5 6.5 316.2 1
Glycogen synthase kinase-3 beta
CHEMBL262
 Ki 6.4 6.4 398.1 1
Serine/threonine-protein kinase pim-2
CHEMBL4523
 Ki 6.3 6.3 501.2 1
Glycogen synthase kinase-3 alpha
CHEMBL2850
 Ki 6.3 6.3 501.2 1
5'-AMP-activated protein kinase catalytic subunit alpha-1
CHEMBL4045
 Ki 6.3 6.3 501.2 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
 Ki 6.1 6.1 794.3 1
Serine/threonine-protein kinase Chk2
CHEMBL2527
 Ki 6.1 6.1 794.3 1
Casein kinase I isoform delta
CHEMBL2828
 Ki 5.9 5.9 1258.9 1
Vascular endothelial growth factor receptor 3
CHEMBL1955
 Ki 5.8 5.8 1584.9 1
Tyrosine-protein kinase JAK3
CHEMBL2148
 Ki 5.8 5.8 1584.9 1
Aurora kinase A
CHEMBL4722
 Ki 5.7 5.7 1995.3 1
Cyclin-dependent kinase 1
CHEMBL308
 Ki 5.7 5.7 1995.3 1
Mitogen-activated protein kinase 9
CHEMBL4179
 Ki 5.4 5.4 3981.1 1
Vascular endothelial growth factor receptor 2
CHEMBL279
 Ki 5.4 5.4 3981.1 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
 Ki 5.4 5.4 3981.1 1
Ribosomal protein S6 kinase beta-1
CHEMBL4501
 Ki 5.3 5.3 5011.9 1
Serine/threonine-protein kinase Chk1
CHEMBL4630
 Ki 5.3 5.3 5011.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Casein kinase II subunit alpha Ki = 6.31 nM 8.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase PLK4 Ki = 125.89 nM 6.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Death-associated protein kinase 3 Ki = 251.19 nM 6.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Aurora kinase B Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Glycogen synthase kinase-3 beta Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
5'-AMP-activated protein kinase catalytic subunit alpha-1 Ki = 501.19 nM 6.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Glycogen synthase kinase-3 alpha Ki = 501.19 nM 6.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase pim-2 Ki = 501.19 nM 6.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A Ki = 794.33 nM 6.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase Chk2 Ki = 794.33 nM 6.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Casein kinase I isoform delta Ki = 1258.93 nM 5.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase JAK3 Ki = 1584.89 nM 5.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 3 Ki = 1584.89 nM 5.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Aurora kinase A Ki = 1995.26 nM 5.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 1 Ki = 1995.26 nM 5.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 2 Ki = 3981.07 nM 5.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase 9 Ki = 3981.07 nM 5.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase pim-1 Ki = 3981.07 nM 5.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Ribosomal protein S6 kinase beta-1 Ki = 5011.87 nM 5.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase Chk1 Ki = 5011.87 nM 5.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -

Data from ChEMBL 36 via Core Engine