Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1969221

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CN(C)c1ccc(-c2c(-c3ccc4[nH]nc(N)c4c3)nnn2Cc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1969221
Phase Preclinical
Structure Type MOL
InChI Key VEXYJVKMGKPGRV-UHFFFAOYSA-N
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

409.5
MW (Da)
4.18
ALogP
6
HBA
2
HBD
88.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23N7
MW 409.50
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -1.34

Activity Summary

Ki 7 meas. best 9.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
 Ki 9.4 9.4 0.4 2
Rho-associated protein kinase 2
CHEMBL2973
 Ki 7.7 7.7 19.9 1
Glycogen synthase kinase-3 beta
CHEMBL262
 Ki 7.6 7.6 25.1 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
 Ki 7.1 7.1 79.4 1
Cyclin-dependent kinase 2
CHEMBL301
 Ki 6.9 6.9 125.9 1
cAMP-dependent protein kinase catalytic subunit alpha
CHEMBL4101
 Ki 6.2 6.2 631.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cell division cycle 7-related protein kinase Ki = 0.3981 nM 9.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cell division cycle 7-related protein kinase Ki = 0.4 nM 9.4 Inhibition Assay: 11 data point. Cdc7 kinase assays were carried out in 25 mM HE... -
Rho-associated protein kinase 2 Ki = 19.95 nM 7.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Glycogen synthase kinase-3 beta Ki = 25.12 nM 7.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase kinase kinase kinase 4 Ki = 79.43 nM 7.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 2 Ki = 125.89 nM 6.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
cAMP-dependent protein kinase catalytic subunit alpha Ki = 630.96 nM 6.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -

Data from ChEMBL 36 via Core Engine