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Compound Detail

CHEMBL1992634

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Brc1cnc2[nH]cc(-c3ccccc3)c2c1

Basic Information

ChEMBL ID CHEMBL1992634
Phase Preclinical
Structure Type MOL
InChI Key OADRBDVURCEKRP-UHFFFAOYSA-N
57
Targets
57
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

273.1
MW (Da)
3.99
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.71
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 C13H9BrN2
MW 273.13
Aromatic Rings 3
Heavy Atoms 16
NP-Likeness -0.75

Activity Summary

Ki 57 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
Ki 8.1 8.1 7.9 1
Mitogen-activated protein kinase kinase kinase kinase 2
CHEMBL5330
Ki 7.7 7.7 19.9 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
Ki 7.6 7.6 25.1 1
Misshapen-like kinase 1
CHEMBL5518
Ki 7.4 7.4 39.8 1
NT-3 growth factor receptor
CHEMBL5608
Ki 7.3 7.3 50.1 1
Mitogen-activated protein kinase kinase kinase kinase 5
CHEMBL4852
Ki 7.3 7.3 50.1 1
Dual specificity protein kinase CLK4
CHEMBL4203
Ki 7.1 7.1 79.4 1
Tyrosine-protein kinase Fer
CHEMBL3982
Ki 6.9 6.9 125.9 1
Aurora kinase B
CHEMBL2185
Ki 6.8 6.8 158.5 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
Ki 6.8 6.8 158.5 1
STE20-like serine/threonine-protein kinase
CHEMBL4202
Ki 6.8 6.8 158.5 1
Tyrosine-protein kinase ITK/TSK
CHEMBL2959
Ki 6.7 6.7 199.5 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
Ki 6.6 6.6 251.2 1
Serine/threonine-protein kinase 3
CHEMBL4708
Ki 6.6 6.6 251.2 1
Cyclin-dependent kinase 5
CHEMBL4036
Ki 6.6 6.6 251.2 1
Cyclin-dependent kinase 2
CHEMBL301
Ki 6.6 6.6 251.2 1
Phosphorylase b kinase gamma catalytic chain, liver/testis isoform
CHEMBL2349
Ki 6.6 6.6 251.2 1
Calcium/calmodulin-dependent protein kinase type II subunit delta
CHEMBL2801
Ki 6.5 6.5 316.2 1
Interleukin-1 receptor-associated kinase 1
CHEMBL3357
Ki 6.5 6.5 316.2 1
Aurora kinase A
CHEMBL4722
Ki 6.5 6.5 316.2 1
Calcium/calmodulin-dependent protein kinase type II subunit gamma
CHEMBL3829
Ki 6.5 6.5 316.2 1
Homeodomain-interacting protein kinase 4
CHEMBL1075167
Ki 6.4 6.4 398.1 1
MAP/microtubule affinity-regulating kinase 3
CHEMBL5600
Ki 6.4 6.4 398.1 1
Cyclin-dependent kinase 1
CHEMBL308
Ki 6.4 6.4 398.1 1
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
Ki 6.4 6.4 398.1 1
Serine/threonine-protein kinase 17A
CHEMBL4525
Ki 6.4 6.4 398.1 1
Dual specificity protein kinase CLK2
CHEMBL4225
Ki 6.4 6.4 398.1 1
Calcium/calmodulin-dependent protein kinase type II subunit beta
CHEMBL4121
Ki 6.4 6.4 398.1 1
MAP kinase-interacting serine/threonine-protein kinase 2
CHEMBL4204
Ki 6.3 6.3 501.2 1
Serine/threonine-protein kinase D2
CHEMBL4900
Ki 6.3 6.3 501.2 1
Tyrosine-protein kinase JAK3
CHEMBL2148
Ki 6.3 6.3 501.2 1
Serine/threonine-protein kinase D3
CHEMBL2595
Ki 6.3 6.3 501.2 1
Mitogen-activated protein kinase kinase kinase 20
CHEMBL3886
Ki 6.2 6.2 631.0 1
Tyrosine-protein kinase JAK2
CHEMBL2971
Ki 6.2 6.2 631.0 1
Serine/threonine-protein kinase Nek4
CHEMBL5819
Ki 6.2 6.2 631.0 1
Proto-oncogene tyrosine-protein kinase ROS
CHEMBL5568
Ki 6.2 6.2 631.0 1
Tyrosine-protein kinase Fes/Fps
CHEMBL5455
Ki 6.2 6.2 631.0 1
Insulin receptor
CHEMBL1981
Ki 6.2 6.2 631.0 1
Tyrosine-protein kinase SYK
CHEMBL2599
Ki 6.1 6.1 794.3 1
Serine/threonine-protein kinase MARK2
CHEMBL3831
Ki 6.1 6.1 794.3 1
Casein kinase II subunit alpha
CHEMBL3629
Ki 6.1 6.1 794.3 1
Vascular endothelial growth factor receptor 2
CHEMBL279
Ki 6.0 6.0 1000.0 1
Serine/threonine-protein kinase N2
CHEMBL3032
Ki 6.0 6.0 1000.0 1
Homeodomain-interacting protein kinase 2
CHEMBL4576
Ki 6.0 6.0 1000.0 1
Lymphokine-activated killer T-cell-originated protein kinase
CHEMBL4896
Ki 5.8 5.8 1584.9 1
Serine/threonine-protein kinase TAO1
CHEMBL5261
Ki 5.8 5.8 1584.9 1
Serine/threonine-protein kinase PLK4
CHEMBL3788
Ki 5.8 5.8 1584.9 1
Insulin-like growth factor 1 receptor
CHEMBL1957
Ki 5.8 5.8 1584.9 1
Serine/threonine-protein kinase Sgk2
CHEMBL5794
Ki 5.8 5.8 1584.9 1
Mitogen-activated protein kinase 8
CHEMBL2276
Ki 5.7 5.7 1995.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase kinase kinase kinase 4 Ki = 7.943 nM 8.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase kinase kinase kinase 2 Ki = 19.95 nM 7.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Receptor-type tyrosine-protein kinase FLT3 Ki = 25.12 nM 7.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Misshapen-like kinase 1 Ki = 39.81 nM 7.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
NT-3 growth factor receptor Ki = 50.12 nM 7.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase kinase kinase kinase 5 Ki = 50.12 nM 7.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity protein kinase CLK4 Ki = 79.43 nM 7.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase Fer Ki = 125.89 nM 6.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
STE20-like serine/threonine-protein kinase Ki = 158.49 nM 6.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Aurora kinase B Ki = 158.49 nM 6.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A Ki = 158.49 nM 6.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase ITK/TSK Ki = 199.53 nM 6.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 5 Ki = 251.19 nM 6.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 1 Ki = 251.19 nM 6.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 2 Ki = 251.19 nM 6.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Phosphorylase b kinase gamma catalytic chain, liver/testis isoform Ki = 251.19 nM 6.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase 3 Ki = 251.19 nM 6.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Calcium/calmodulin-dependent protein kinase type II subunit gamma Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Calcium/calmodulin-dependent protein kinase type II subunit delta Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Aurora kinase A Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -

Data from ChEMBL 36 via Core Engine