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

CHEMBL1987034

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
N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1

Basic Information

ChEMBL ID CHEMBL1987034
Phase Preclinical
Structure Type MOL
InChI Key MVJMMLFMPWITEJ-UHFFFAOYSA-N
121
Targets
121
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

475.3
MW (Da)
3.28
ALogP
8
HBA
3
HBD
143.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15BrN6O3S
MW 475.33
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.92

Activity Summary

Ki 121 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase JAK2
CHEMBL2971
Ki 9.1 9.1 0.8 1
Aurora kinase A
CHEMBL4722
Ki 8.8 8.8 1.6 1
Mitogen-activated protein kinase 8
CHEMBL2276
Ki 8.6 8.6 2.5 1
Aurora kinase B
CHEMBL2185
Ki 8.5 8.5 3.2 1
Tyrosine-protein kinase SYK
CHEMBL2599
Ki 8.5 8.5 3.2 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
Ki 8.4 8.4 4.0 1
Tyrosine-protein kinase ITK/TSK
CHEMBL2959
Ki 8.4 8.4 4.0 1
Casein kinase II subunit alpha
CHEMBL3629
Ki 8.4 8.4 4.0 1
NT-3 growth factor receptor
CHEMBL5608
Ki 8.3 8.3 5.0 1
Tyrosine-protein kinase JAK3
CHEMBL2148
Ki 8.2 8.2 6.3 1
Non-receptor tyrosine-protein kinase TYK2
CHEMBL3553
Ki 8.2 8.2 6.3 1
Mitogen-activated protein kinase 9
CHEMBL4179
Ki 8.2 8.2 6.3 1
Vascular endothelial growth factor receptor 3
CHEMBL1955
Ki 8.1 8.1 7.9 1
Cyclin-dependent kinase 2
CHEMBL301
Ki 8.1 8.1 7.9 1
Cyclin-dependent kinase 5
CHEMBL4036
Ki 8.1 8.1 7.9 1
Tyrosine-protein kinase receptor UFO
CHEMBL4895
Ki 8.1 8.1 7.9 1
Protein-tyrosine kinase 2-beta
CHEMBL5469
Ki 8.0 8.0 10.0 1
Serine/threonine-protein kinase Nek4
CHEMBL5819
Ki 8.0 8.0 10.0 1
Proto-oncogene tyrosine-protein kinase receptor Ret
CHEMBL2041
Ki 7.9 7.9 12.6 1
STE20-like serine/threonine-protein kinase
CHEMBL4202
Ki 7.8 7.8 15.8 1
Tyrosine-protein kinase FRK
CHEMBL4223
Ki 7.8 7.8 15.8 1
Dual specificity protein kinase CLK2
CHEMBL4225
Ki 7.8 7.8 15.8 1
Serine/threonine-protein kinase PAK 4
CHEMBL4482
Ki 7.8 7.8 15.8 1
Serine/threonine-protein kinase PLK4
CHEMBL3788
Ki 7.7 7.7 19.9 1
Tyrosine-protein kinase Fer
CHEMBL3982
Ki 7.7 7.7 19.9 1
5'-AMP-activated protein kinase catalytic subunit alpha-1
CHEMBL4045
Ki 7.7 7.7 19.9 1
Serine/threonine-protein kinase TAO1
CHEMBL5261
Ki 7.7 7.7 19.9 1
Tyrosine-protein kinase Fyn
CHEMBL1841
Ki 7.6 7.6 25.1 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
Ki 7.6 7.6 25.1 1
Ribosomal protein S6 kinase alpha-3
CHEMBL2345
Ki 7.6 7.6 25.1 1
Cyclin-dependent kinase 1
CHEMBL308
Ki 7.6 7.6 25.1 1
Interleukin-1 receptor-associated kinase 1
CHEMBL3357
Ki 7.6 7.6 25.1 1
Insulin-like growth factor 1 receptor
CHEMBL1957
Ki 7.5 7.5 31.6 1
Death-associated protein kinase 3
CHEMBL2468
Ki 7.5 7.5 31.6 1
Serine/threonine-protein kinase Chk2
CHEMBL2527
Ki 7.5 7.5 31.6 1
Serine/threonine-protein kinase D3
CHEMBL2595
Ki 7.5 7.5 31.6 1
Cell division cycle 7-related protein kinase
CHEMBL5443
Ki 7.5 7.5 31.6 1
MAP/microtubule affinity-regulating kinase 3
CHEMBL5600
Ki 7.5 7.5 31.6 1
Testis-specific serine/threonine-protein kinase 1
CHEMBL6003
Ki 7.5 7.5 31.6 1
Insulin receptor
CHEMBL1981
Ki 7.4 7.4 39.8 1
Fibroblast growth factor receptor 3
CHEMBL2742
Ki 7.4 7.4 39.8 1
Serine/threonine-protein kinase MARK2
CHEMBL3831
Ki 7.4 7.4 39.8 1
Mitogen-activated protein kinase 12
CHEMBL4674
Ki 7.4 7.4 39.8 1
Tyrosine-protein kinase Fes/Fps
CHEMBL5455
Ki 7.4 7.4 39.8 1
Tyrosine-protein kinase Blk
CHEMBL2250
Ki 7.3 7.3 50.1 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
Ki 7.3 7.3 50.1 1
Vascular endothelial growth factor receptor 2
CHEMBL279
Ki 7.3 7.3 50.1 1
ALK tyrosine kinase receptor
CHEMBL4247
Ki 7.3 7.3 50.1 1
Homeodomain-interacting protein kinase 2
CHEMBL4576
Ki 7.3 7.3 50.1 1
Calcium/calmodulin-dependent protein kinase type II subunit gamma
CHEMBL3829
Ki 7.2 7.2 63.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase JAK2 Ki = 0.7943 nM 9.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Aurora kinase A Ki = 1.585 nM 8.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase 8 Ki = 2.512 nM 8.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase SYK Ki = 3.162 nM 8.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Aurora kinase B Ki = 3.162 nM 8.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Casein kinase II subunit alpha Ki = 3.981 nM 8.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Receptor-type tyrosine-protein kinase FLT3 Ki = 3.981 nM 8.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase ITK/TSK Ki = 3.981 nM 8.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
NT-3 growth factor receptor Ki = 5.012 nM 8.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase 9 Ki = 6.31 nM 8.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Non-receptor tyrosine-protein kinase TYK2 Ki = 6.31 nM 8.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase JAK3 Ki = 6.31 nM 8.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase receptor UFO Ki = 7.943 nM 8.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 2 Ki = 7.943 nM 8.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 5 Ki = 7.943 nM 8.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 3 Ki = 7.943 nM 8.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase Nek4 Ki = 10.0 nM 8.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Protein-tyrosine kinase 2-beta Ki = 10.0 nM 8.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Proto-oncogene tyrosine-protein kinase receptor Ret Ki = 12.59 nM 7.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity protein kinase CLK2 Ki = 15.85 nM 7.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -

Data from ChEMBL 36 via Core Engine