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Compound Detail

CHEMBL1973395

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OC1CCN(c2ncnc3[nH]cc(-c4ccccc4)c23)CC1

Basic Information

ChEMBL ID CHEMBL1973395
Phase Preclinical
Structure Type MOL
InChI Key FONINLXADYUZFI-UHFFFAOYSA-N
48
Targets
48
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
2.59
ALogP
4
HBA
2
HBD
65.0
PSA (Ų)
0.76
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 C17H18N4O
MW 294.36
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.59

Activity Summary

Ki 48 meas. best 7.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
Ki 7.9 7.9 12.6 1
Serine/threonine-protein kinase 3
CHEMBL4708
Ki 7.6 7.6 25.1 1
Tyrosine-protein kinase JAK3
CHEMBL2148
Ki 7.2 7.2 63.1 1
MAP/microtubule affinity-regulating kinase 3
CHEMBL5600
Ki 6.9 6.9 125.9 1
Serine/threonine-protein kinase MARK2
CHEMBL3831
Ki 6.9 6.9 125.9 1
Aurora kinase A
CHEMBL4722
Ki 6.8 6.8 158.5 1
Serine/threonine-protein kinase PLK4
CHEMBL3788
Ki 6.6 6.6 251.2 1
Cyclin-dependent kinase 2
CHEMBL301
Ki 6.6 6.6 251.2 1
Cyclin-dependent kinase 1
CHEMBL308
Ki 6.5 6.5 316.2 1
Cyclin-dependent kinase 5
CHEMBL4036
Ki 6.5 6.5 316.2 1
Tyrosine-protein kinase JAK2
CHEMBL2971
Ki 6.4 6.4 398.1 1
Ribosomal protein S6 kinase beta-1
CHEMBL4501
Ki 6.4 6.4 398.1 1
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
Ki 6.4 6.4 398.1 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
Ki 6.4 6.4 398.1 1
Aurora kinase B
CHEMBL2185
Ki 6.4 6.4 398.1 1
Rho-associated protein kinase 2
CHEMBL2973
Ki 6.3 6.3 501.2 1
Protein kinase C delta type
CHEMBL2996
Ki 6.2 6.2 631.0 1
High affinity nerve growth factor receptor
CHEMBL2815
Ki 6.2 6.2 631.0 1
Fibroblast growth factor receptor 3
CHEMBL2742
Ki 6.2 6.2 631.0 1
Tyrosine-protein kinase Blk
CHEMBL2250
Ki 6.2 6.2 631.0 1
LIM domain kinase 1
CHEMBL3836
Ki 6.2 6.2 631.0 1
Tyrosine-protein kinase Fyn
CHEMBL1841
Ki 6.1 6.1 794.3 1
Tyrosine-protein kinase Lck
CHEMBL258
Ki 6.1 6.1 794.3 1
Vascular endothelial growth factor receptor 2
CHEMBL279
Ki 6.0 6.0 1000.0 1
Tyrosine-protein kinase Lyn
CHEMBL3905
Ki 6.0 6.0 1000.0 1
Protein kinase C gamma type
CHEMBL2938
Ki 5.9 5.9 1258.9 1
Glycogen synthase kinase-3 alpha
CHEMBL2850
Ki 5.9 5.9 1258.9 1
cAMP-dependent protein kinase catalytic subunit alpha
CHEMBL4101
Ki 5.9 5.9 1258.9 1
5'-AMP-activated protein kinase catalytic subunit alpha-1
CHEMBL4045
Ki 5.9 5.9 1258.9 1
MAP kinase-activated protein kinase 2
CHEMBL2208
Ki 5.9 5.9 1258.9 1
BDNF/NT-3 growth factors receptor
CHEMBL4898
Ki 5.9 5.9 1258.9 1
Vascular endothelial growth factor receptor 3
CHEMBL1955
Ki 5.8 5.8 1584.9 1
Hepatocyte growth factor receptor
CHEMBL3717
Ki 5.8 5.8 1584.9 1
Fibroblast growth factor receptor 1
CHEMBL3650
Ki 5.8 5.8 1584.9 1
Rho-associated protein kinase 1
CHEMBL3231
Ki 5.8 5.8 1584.9 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 5.8 5.8 1584.9 1
3-phosphoinositide-dependent protein kinase 1
CHEMBL2534
Ki 5.8 5.8 1584.9 1
Epidermal growth factor receptor
CHEMBL203
Ki 5.8 5.8 1584.9 1
Serine/threonine-protein kinase D2
CHEMBL4900
Ki 5.7 5.7 1995.3 1
Insulin receptor
CHEMBL1981
Ki 5.7 5.7 1995.3 1
Serine/threonine-protein kinase PAK 4
CHEMBL4482
Ki 5.4 5.4 3981.1 1
Serine/threonine-protein kinase Chk1
CHEMBL4630
Ki 5.4 5.4 3981.1 1
Serine/threonine-protein kinase Chk2
CHEMBL2527
Ki 5.4 5.4 3981.1 1
Serine/threonine-protein kinase Sgk2
CHEMBL5794
Ki 5.4 5.4 3981.1 1
Mitogen-activated protein kinase 1
CHEMBL4040
Ki 5.3 5.3 5011.9 1
Serine/threonine-protein kinase MRCK alpha
CHEMBL4516
Ki 5.3 5.3 5011.9 1
Mitogen-activated protein kinase 12
CHEMBL4674
Ki 5.2 5.2 6309.6 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 5.1 5.1 7943.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cell division cycle 7-related protein kinase Ki = 12.59 nM 7.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase 3 Ki = 25.12 nM 7.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase JAK3 Ki = 63.1 nM 7.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
MAP/microtubule affinity-regulating kinase 3 Ki = 125.89 nM 6.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase MARK2 Ki = 125.89 nM 6.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Aurora kinase A Ki = 158.49 nM 6.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase PLK4 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... -
Cyclin-dependent kinase 5 Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Cyclin-dependent kinase 1 Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Interleukin-1 receptor-associated kinase 4 Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Ribosomal protein S6 kinase beta-1 Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase JAK2 Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Aurora kinase B Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Rho-associated protein kinase 2 Ki = 501.19 nM 6.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
High affinity nerve growth factor receptor Ki = 630.96 nM 6.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Fibroblast growth factor receptor 3 Ki = 630.96 nM 6.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase Blk Ki = 630.96 nM 6.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Protein kinase C delta type Ki = 630.96 nM 6.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -

Data from ChEMBL 36 via Core Engine