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Compound Detail

CHEMBL1999918

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NC(=O)c1cc2c(-c3ccc(Br)c(F)c3F)cncc2s1

Basic Information

ChEMBL ID CHEMBL1999918
Phase Preclinical
Structure Type MOL
InChI Key AWJPVXSHMIELNJ-UHFFFAOYSA-N
48
Targets
48
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

369.2
MW (Da)
4.10
ALogP
3
HBA
1
HBD
56.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H7BrF2N2OS
MW 369.19
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.08

Activity Summary

Ki 48 meas. best 8.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 8.2 8.2 6.3 1
Glycogen synthase kinase-3 alpha
CHEMBL2850
Ki 7.6 7.6 25.1 1
Cyclin-dependent kinase 5
CHEMBL4036
Ki 7.3 7.3 50.1 1
Ribosomal protein S6 kinase beta-1
CHEMBL4501
Ki 6.8 6.8 158.5 1
Cyclin-dependent kinase 1
CHEMBL308
Ki 6.6 6.6 251.2 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
Ki 6.5 6.5 316.2 1
Fibroblast growth factor receptor 1
CHEMBL3650
Ki 6.5 6.5 316.2 1
Cyclin-dependent kinase 2
CHEMBL301
Ki 6.5 6.5 316.2 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
Ki 6.5 6.5 316.2 1
Serine/threonine-protein kinase Chk2
CHEMBL2527
Ki 6.4 6.4 398.1 1
Serine/threonine-protein kinase Sgk2
CHEMBL5794
Ki 6.4 6.4 398.1 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 6.3 6.3 501.2 1
Serine/threonine-protein kinase pim-2
CHEMBL4523
Ki 6.3 6.3 501.2 1
Serine/threonine-protein kinase MRCK alpha
CHEMBL4516
Ki 6.2 6.2 631.0 1
Mitogen-activated protein kinase 1
CHEMBL4040
Ki 6.2 6.2 631.0 1
5'-AMP-activated protein kinase catalytic subunit alpha-1
CHEMBL4045
Ki 6.2 6.2 631.0 1
Serine/threonine-protein kinase PLK3
CHEMBL4897
Ki 6.1 6.1 794.3 1
Fibroblast growth factor receptor 3
CHEMBL2742
Ki 6.1 6.1 794.3 1
Death-associated protein kinase 3
CHEMBL2468
Ki 6.1 6.1 794.3 1
Casein kinase I isoform delta
CHEMBL2828
Ki 6.0 6.0 1000.0 1
Mitogen-activated protein kinase 9
CHEMBL4179
Ki 6.0 6.0 1000.0 1
Ribosomal protein S6 kinase alpha-3
CHEMBL2345
Ki 6.0 6.0 1000.0 1
Serine/threonine-protein kinase PLK4
CHEMBL3788
Ki 6.0 6.0 1000.0 1
Tyrosine-protein kinase Lyn
CHEMBL3905
Ki 5.9 5.9 1258.9 1
Vascular endothelial growth factor receptor 3
CHEMBL1955
Ki 5.9 5.9 1258.9 1
Tyrosine-protein kinase JAK3
CHEMBL2148
Ki 5.9 5.9 1258.9 1
Serine/threonine-protein kinase PLK1
CHEMBL3024
Ki 5.9 5.9 1258.9 1
Protein kinase C delta type
CHEMBL2996
Ki 5.9 5.9 1258.9 1
Vascular endothelial growth factor receptor 2
CHEMBL279
Ki 5.9 5.9 1258.9 1
Tyrosine-protein kinase Lck
CHEMBL258
Ki 5.9 5.9 1258.9 1
Serine/threonine-protein kinase D2
CHEMBL4900
Ki 5.8 5.8 1584.9 1
Serine/threonine-protein kinase 3
CHEMBL4708
Ki 5.8 5.8 1584.9 1
Rho-associated protein kinase 1
CHEMBL3231
Ki 5.7 5.7 1995.3 1
Mitogen-activated protein kinase 8
CHEMBL2276
Ki 5.7 5.7 1995.3 1
LIM domain kinase 1
CHEMBL3836
Ki 5.6 5.6 2511.9 1
Aurora kinase A
CHEMBL4722
Ki 5.6 5.6 2511.9 1
Calcium/calmodulin-dependent protein kinase type 1
CHEMBL2493
Ki 5.6 5.6 2511.9 1
MAP/microtubule affinity-regulating kinase 3
CHEMBL5600
Ki 5.5 5.5 3162.3 1
cAMP-dependent protein kinase catalytic subunit alpha
CHEMBL4101
Ki 5.5 5.5 3162.3 1
Serine/threonine-protein kinase PAK 4
CHEMBL4482
Ki 5.4 5.4 3981.1 1
RAC-gamma serine/threonine-protein kinase
CHEMBL4816
Ki 5.4 5.4 3981.1 1
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
Ki 5.4 5.4 3981.1 1
Serine/threonine-protein kinase Nek2
CHEMBL3835
Ki 5.3 5.3 5011.9 1
Serine/threonine-protein kinase MARK2
CHEMBL3831
Ki 5.3 5.3 5011.9 1
RAC-alpha serine/threonine-protein kinase
CHEMBL4282
Ki 5.2 5.2 6309.6 1
Aurora kinase B
CHEMBL2185
Ki 5.2 5.2 6309.6 1
Protein kinase C zeta type
CHEMBL3438
Ki 5.2 5.2 6309.6 1
Serine/threonine-protein kinase Chk1
CHEMBL4630
Ki 5.1 5.1 7943.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen synthase kinase-3 beta Ki = 6.31 nM 8.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Glycogen synthase kinase-3 alpha Ki = 25.12 nM 7.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 5 Ki = 50.12 nM 7.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Ribosomal protein S6 kinase beta-1 Ki = 158.49 nM 6.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 1 Ki = 251.19 nM 6.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 2 Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Fibroblast growth factor receptor 1 Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 1 Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase Chk2 Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase Sgk2 Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase pim-1 Ki = 501.19 nM 6.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase pim-2 Ki = 501.19 nM 6.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
5'-AMP-activated protein kinase catalytic subunit alpha-1 Ki = 630.96 nM 6.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase 1 Ki = 630.96 nM 6.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase MRCK alpha Ki = 630.96 nM 6.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Fibroblast growth factor receptor 3 Ki = 794.33 nM 6.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase PLK3 Ki = 794.33 nM 6.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Death-associated protein kinase 3 Ki = 794.33 nM 6.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase 9 Ki = 1000.0 nM 6.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -

Data from ChEMBL 36 via Core Engine