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Compound Detail

CHEMBL1995592

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Cc1cc(O)ccc1-n1c2cc(Cl)ccc2c(=O)c2c(N)nc(N)nc21

Basic Information

ChEMBL ID CHEMBL1995592
Phase Preclinical
Structure Type MOL
InChI Key GXFGHUNNGNQSMQ-UHFFFAOYSA-N
45
Targets
45
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

367.8
MW (Da)
2.77
ALogP
7
HBA
3
HBD
120.0
PSA (Ų)
0.44
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 C18H14ClN5O2
MW 367.80
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.57

Activity Summary

Ki 45 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 3
CHEMBL1955
Ki 7.0 7.0 100.0 1
Receptor tyrosine-protein kinase erbB-4
CHEMBL3009
Ki 7.0 7.0 100.0 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
Ki 6.9 6.9 125.9 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
Ki 6.8 6.8 158.5 1
Tyrosine-protein kinase Blk
CHEMBL2250
Ki 6.6 6.6 251.2 1
Epidermal growth factor receptor
CHEMBL203
Ki 6.5 6.5 316.2 1
Mitogen-activated protein kinase 8
CHEMBL2276
Ki 6.4 6.4 398.1 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
Ki 6.2 6.2 631.0 1
Cyclin-dependent kinase 1
CHEMBL308
Ki 6.2 6.2 631.0 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
Ki 6.2 6.2 631.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
Ki 6.2 6.2 631.0 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 6.1 6.1 794.3 1
Mitogen-activated protein kinase 9
CHEMBL4179
Ki 6.1 6.1 794.3 1
Cyclin-dependent kinase 2
CHEMBL301
Ki 6.1 6.1 794.3 1
Tyrosine-protein kinase Lck
CHEMBL258
Ki 6.1 6.1 794.3 1
Fibroblast growth factor receptor 1
CHEMBL3650
Ki 6.0 6.0 1000.0 1
Protein kinase C delta type
CHEMBL2996
Ki 6.0 6.0 1000.0 1
Aurora kinase A
CHEMBL4722
Ki 6.0 6.0 1000.0 1
Rho-associated protein kinase 2
CHEMBL2973
Ki 6.0 6.0 1000.0 1
Serine/threonine-protein kinase MRCK alpha
CHEMBL4516
Ki 5.9 5.9 1258.9 1
Ribosomal protein S6 kinase beta-1
CHEMBL4501
Ki 5.9 5.9 1258.9 1
Fibroblast growth factor receptor 3
CHEMBL2742
Ki 5.9 5.9 1258.9 1
Tyrosine-protein kinase JAK3
CHEMBL2148
Ki 5.9 5.9 1258.9 1
cAMP-dependent protein kinase catalytic subunit alpha
CHEMBL4101
Ki 5.9 5.9 1258.9 1
Cyclin-dependent kinase 5
CHEMBL4036
Ki 5.9 5.9 1258.9 1
Aurora kinase B
CHEMBL2185
Ki 5.9 5.9 1258.9 1
Serine/threonine-protein kinase PLK4
CHEMBL3788
Ki 5.9 5.9 1258.9 1
Serine/threonine-protein kinase MARK2
CHEMBL3831
Ki 5.9 5.9 1258.9 1
Tyrosine-protein kinase Lyn
CHEMBL3905
Ki 5.8 5.8 1584.9 1
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
Ki 5.8 5.8 1584.9 1
Glycogen synthase kinase-3 alpha
CHEMBL2850
Ki 5.7 5.7 1995.3 1
LIM domain kinase 1
CHEMBL3836
Ki 5.7 5.7 1995.3 1
MAP/microtubule affinity-regulating kinase 3
CHEMBL5600
Ki 5.7 5.7 1995.3 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 5.7 5.7 1995.3 1
Rho-associated protein kinase 1
CHEMBL3231
Ki 5.6 5.6 2511.9 1
Insulin receptor
CHEMBL1981
Ki 5.6 5.6 2511.9 1
Serine/threonine-protein kinase D2
CHEMBL4900
Ki 5.6 5.6 2511.9 1
Protein kinase C zeta type
CHEMBL3438
Ki 5.5 5.5 3162.3 1
3-phosphoinositide-dependent protein kinase 1
CHEMBL2534
Ki 5.5 5.5 3162.3 1
Casein kinase I isoform delta
CHEMBL2828
Ki 5.5 5.5 3162.3 1
Serine/threonine-protein kinase 3
CHEMBL4708
Ki 5.5 5.5 3162.3 1
Serine/threonine-protein kinase Sgk2
CHEMBL5794
Ki 5.3 5.3 5011.9 1
Calcium/calmodulin-dependent protein kinase type 1
CHEMBL2493
Ki 5.3 5.3 5011.9 1
Serine/threonine-protein kinase PLK3
CHEMBL4897
Ki 5.2 5.2 6309.6 1
Protein kinase C gamma type
CHEMBL2938
Ki 5.2 5.2 6309.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Receptor tyrosine-protein kinase erbB-4 Ki = 100.0 nM 7.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 3 Ki = 100.0 nM 7.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 1 Ki = 125.89 nM 6.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Macrophage colony-stimulating factor 1 receptor Ki = 158.49 nM 6.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase Blk Ki = 251.19 nM 6.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Epidermal growth factor receptor Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase 8 Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 1 Ki = 630.96 nM 6.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Receptor-type tyrosine-protein kinase FLT3 Ki = 630.96 nM 6.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 2 Ki = 630.96 nM 6.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A Ki = 630.96 nM 6.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 2 Ki = 794.33 nM 6.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase pim-1 Ki = 794.33 nM 6.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase 9 Ki = 794.33 nM 6.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase Lck Ki = 794.33 nM 6.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Fibroblast growth factor receptor 1 Ki = 1000.0 nM 6.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Rho-associated protein kinase 2 Ki = 1000.0 nM 6.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Aurora kinase A Ki = 1000.0 nM 6.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Protein kinase C delta type Ki = 1000.0 nM 6.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase JAK3 Ki = 1258.93 nM 5.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -

Data from ChEMBL 36 via Core Engine