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Compound Detail

CHEMBL1969588

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Clc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1

Basic Information

ChEMBL ID CHEMBL1969588
Phase Preclinical
Structure Type MOL
InChI Key XFWUTMHVDGPWLH-UHFFFAOYSA-N
89
Targets
89
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

334.8
MW (Da)
4.89
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15ClN4
MW 334.81
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.17

Activity Summary

Ki 89 meas. best 8.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase N2
CHEMBL3032
Ki 8.6 8.6 2.5 1
5'-AMP-activated protein kinase catalytic subunit alpha-1
CHEMBL4045
Ki 8.4 8.4 4.0 1
Dual specificity protein kinase CLK2
CHEMBL4225
Ki 8.4 8.4 4.0 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
Ki 8.4 8.4 4.0 1
Cyclin-dependent kinase 5
CHEMBL4036
Ki 8.3 8.3 5.0 1
Casein kinase I isoform gamma-2
CHEMBL2543
Ki 8.2 8.2 6.3 1
Protein kinase C delta type
CHEMBL2996
Ki 8.1 8.1 7.9 1
Tyrosine-protein kinase JAK3
CHEMBL2148
Ki 8.1 8.1 7.9 1
Rho-associated protein kinase 2
CHEMBL2973
Ki 8.0 8.0 10.0 1
STE20-like serine/threonine-protein kinase
CHEMBL4202
Ki 8.0 8.0 10.0 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 8.0 8.0 10.0 1
Tyrosine-protein kinase Fyn
CHEMBL1841
Ki 8.0 8.0 10.0 1
Ribosomal protein S6 kinase alpha-5
CHEMBL4237
Ki 7.8 7.8 15.8 1
Casein kinase I isoform gamma-1
CHEMBL2426
Ki 7.8 7.8 15.8 1
Serine/threonine-protein kinase MRCK alpha
CHEMBL4516
Ki 7.8 7.8 15.8 1
cAMP-dependent protein kinase catalytic subunit alpha
CHEMBL4101
Ki 7.7 7.7 19.9 1
Cyclin-dependent kinase 2
CHEMBL301
Ki 7.7 7.7 19.9 1
Casein kinase I isoform gamma-3
CHEMBL5084
Ki 7.7 7.7 19.9 1
Cyclin-dependent kinase 1
CHEMBL308
Ki 7.6 7.6 25.1 1
Cyclin-dependent kinase 7
CHEMBL3055
Ki 7.6 7.6 25.1 1
Rho-associated protein kinase 1
CHEMBL3231
Ki 7.6 7.6 25.1 1
NT-3 growth factor receptor
CHEMBL5608
Ki 7.5 7.5 31.6 1
Tyrosine-protein kinase JAK2
CHEMBL2971
Ki 7.5 7.5 31.6 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
Ki 7.4 7.4 39.8 1
Interleukin-1 receptor-associated kinase 1
CHEMBL3357
Ki 7.3 7.3 50.1 1
Tyrosine-protein kinase Blk
CHEMBL2250
Ki 7.3 7.3 50.1 1
Tyrosine-protein kinase Lck
CHEMBL258
Ki 7.2 7.2 63.1 1
Dual specificity tyrosine-phosphorylation-regulated kinase 3
CHEMBL4575
Ki 7.2 7.2 63.1 1
Casein kinase I isoform delta
CHEMBL2828
Ki 7.2 7.2 63.1 1
Death-associated protein kinase 3
CHEMBL2468
Ki 7.2 7.2 63.1 1
Homeodomain-interacting protein kinase 2
CHEMBL4576
Ki 7.2 7.2 63.1 1
Ribosomal protein S6 kinase beta-1
CHEMBL4501
Ki 7.1 7.1 79.4 1
Tyrosine-protein kinase FRK
CHEMBL4223
Ki 7.1 7.1 79.4 1
Calcium/calmodulin-dependent protein kinase type II subunit delta
CHEMBL2801
Ki 7.1 7.1 79.4 1
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
Ki 7.1 7.1 79.4 1
cAMP-dependent protein kinase catalytic subunit PRKX
CHEMBL5818
Ki 7.1 7.1 79.4 1
Cyclin-dependent kinase 9
CHEMBL3116
Ki 7.0 7.0 100.0 1
Calcium/calmodulin-dependent protein kinase type II subunit gamma
CHEMBL3829
Ki 7.0 7.0 100.0 1
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
Ki 7.0 7.0 100.0 1
Tyrosine-protein kinase Fer
CHEMBL3982
Ki 6.9 6.9 125.9 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 6.8 6.8 158.5 1
Mitogen-activated protein kinase kinase kinase 20
CHEMBL3886
Ki 6.8 6.8 158.5 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
Ki 6.8 6.8 158.5 1
Serine/threonine-protein kinase 17A
CHEMBL4525
Ki 6.8 6.8 158.5 1
MAP kinase-interacting serine/threonine-protein kinase 2
CHEMBL4204
Ki 6.8 6.8 158.5 1
Serine/threonine-protein kinase D3
CHEMBL2595
Ki 6.8 6.8 158.5 1
High affinity nerve growth factor receptor
CHEMBL2815
Ki 6.8 6.8 158.5 1
MAP/microtubule affinity-regulating kinase 3
CHEMBL5600
Ki 6.8 6.8 158.5 1
cGMP-dependent protein kinase 1
CHEMBL4273
Ki 6.7 6.7 199.5 1
Testis-specific serine/threonine-protein kinase 1
CHEMBL6003
Ki 6.7 6.7 199.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase N2 Ki = 2.512 nM 8.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A Ki = 3.981 nM 8.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
5'-AMP-activated protein kinase catalytic subunit alpha-1 Ki = 3.981 nM 8.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity protein kinase CLK2 Ki = 3.981 nM 8.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 5 Ki = 5.012 nM 8.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Casein kinase I isoform gamma-2 Ki = 6.31 nM 8.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Protein kinase C delta type Ki = 7.943 nM 8.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase JAK3 Ki = 7.943 nM 8.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
STE20-like serine/threonine-protein kinase Ki = 10.0 nM 8.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase Fyn Ki = 10.0 nM 8.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Glycogen synthase kinase-3 beta Ki = 10.0 nM 8.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Rho-associated protein kinase 2 Ki = 10.0 nM 8.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Ribosomal protein S6 kinase alpha-5 Ki = 15.85 nM 7.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase MRCK alpha Ki = 15.85 nM 7.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Casein kinase I isoform gamma-1 Ki = 15.85 nM 7.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 2 Ki = 19.95 nM 7.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
cAMP-dependent protein kinase catalytic subunit alpha Ki = 19.95 nM 7.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Casein kinase I isoform gamma-3 Ki = 19.95 nM 7.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 7 Ki = 25.12 nM 7.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Rho-associated protein kinase 1 Ki = 25.12 nM 7.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -

Data from ChEMBL 36 via Core Engine