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Compound Detail

CHEMBL1983315

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Cc1ccccc1-c1c(-c2ccc3[nH]nc(C)c3c2)nnn1Cc1ccccc1

Basic Information

ChEMBL ID CHEMBL1983315
Phase Preclinical
Structure Type MOL
InChI Key DWXUTKBSWVUPBE-UHFFFAOYSA-N
9
Targets
10
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

379.5
MW (Da)
5.15
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21N5
MW 379.47
Aromatic Rings 5
Heavy Atoms 29
NP-Likeness -1.45

Activity Summary

Ki 10 meas. best 8.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
Ki 8.65 8.625 2.2 2
Cyclin-dependent kinase 2
CHEMBL301
Ki 8.4 8.4 4.0 1
cAMP-dependent protein kinase catalytic subunit alpha
CHEMBL4101
Ki 8.4 8.4 4.0 1
Dual specificity protein kinase CLK4
CHEMBL4203
Ki 8.1 8.1 7.9 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 7.9 7.9 12.6 1
MAP kinase-interacting serine/threonine-protein kinase 2
CHEMBL4204
Ki 6.8 6.8 158.5 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
Ki 6.8 6.8 158.5 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 6.6 6.6 251.2 1
Homeodomain-interacting protein kinase 2
CHEMBL4576
Ki 5.6 5.6 2511.9 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 = 2.25 nM 8.65 Inhibition Assay: 11 data point. Cdc7 kinase assays were carried out in 25 mM HE... -
Cell division cycle 7-related protein kinase Ki = 2.512 nM 8.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 2 Ki = 3.981 nM 8.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
cAMP-dependent protein kinase catalytic subunit alpha Ki = 3.981 nM 8.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity protein kinase CLK4 Ki = 7.943 nM 8.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Glycogen synthase kinase-3 beta Ki = 12.59 nM 7.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase kinase kinase kinase 4 Ki = 158.49 nM 6.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
MAP kinase-interacting serine/threonine-protein kinase 2 Ki = 158.49 nM 6.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase pim-1 Ki = 251.19 nM 6.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Homeodomain-interacting protein kinase 2 Ki = 2511.89 nM 5.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -

Data from ChEMBL 36 via Core Engine