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Compound Detail

CHEMBL1964290

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Cc1cccc(-c2[nH]c(-c3ccnc(N)n3)cc2C(N)=O)c1C

Basic Information

ChEMBL ID CHEMBL1964290
Phase Preclinical
Structure Type MOL
InChI Key JJJSCYSPSKBQAX-UHFFFAOYSA-N
59
Targets
59
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
2.44
ALogP
4
HBA
3
HBD
110.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17N5O
MW 307.36
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.55

Activity Summary

Ki 59 meas. best 8.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
Ki 8.2 8.2 6.3 1
Dual specificity tyrosine-phosphorylation-regulated kinase 3
CHEMBL4575
Ki 8.0 8.0 10.0 1
Serine/threonine-protein kinase N2
CHEMBL3032
Ki 7.6 7.6 25.1 1
Glycogen synthase kinase-3 alpha
CHEMBL2850
Ki 7.6 7.6 25.1 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 7.6 7.6 25.1 1
Dual specificity tyrosine-phosphorylation-regulated kinase 4
CHEMBL1075115
Ki 7.3 7.3 50.1 1
Casein kinase I isoform gamma-2
CHEMBL2543
Ki 7.2 7.2 63.1 1
Casein kinase I isoform gamma-3
CHEMBL5084
Ki 7.1 7.1 79.4 1
Homeodomain-interacting protein kinase 2
CHEMBL4576
Ki 7.1 7.1 79.4 1
Casein kinase I isoform gamma-1
CHEMBL2426
Ki 7.1 7.1 79.4 1
Casein kinase I isoform alpha
CHEMBL2793
Ki 7.0 7.0 100.0 1
Casein kinase I isoform delta
CHEMBL2828
Ki 6.8 6.8 158.5 1
Serine/threonine-protein kinase D3
CHEMBL2595
Ki 6.7 6.7 199.5 1
Serine/threonine-protein kinase 17A
CHEMBL4525
Ki 6.7 6.7 199.5 1
MAP kinase-interacting serine/threonine-protein kinase 2
CHEMBL4204
Ki 6.7 6.7 199.5 1
Mitogen-activated protein kinase 12
CHEMBL4674
Ki 6.6 6.6 251.2 1
Serine/threonine-protein kinase PLK4
CHEMBL3788
Ki 6.5 6.5 316.2 1
Interleukin-1 receptor-associated kinase 1
CHEMBL3357
Ki 6.5 6.5 316.2 1
Rho-associated protein kinase 2
CHEMBL2973
Ki 6.5 6.5 316.2 1
Mitogen-activated protein kinase 1
CHEMBL4040
Ki 6.4 6.4 398.1 1
Serine/threonine-protein kinase TAO1
CHEMBL5261
Ki 6.3 6.3 501.2 1
Cyclin-dependent kinase 2
CHEMBL301
Ki 6.3 6.3 501.2 1
Mitogen-activated protein kinase 13
CHEMBL2939
Ki 6.3 6.3 501.2 1
Death-associated protein kinase 3
CHEMBL2468
Ki 6.3 6.3 501.2 1
Tyrosine-protein kinase JAK3
CHEMBL2148
Ki 6.3 6.3 501.2 1
Homeodomain-interacting protein kinase 4
CHEMBL1075167
Ki 6.2 6.2 631.0 1
Protein kinase C delta type
CHEMBL2996
Ki 6.1 6.1 794.3 1
Mitogen-activated protein kinase kinase kinase kinase 2
CHEMBL5330
Ki 6.1 6.1 794.3 1
Casein kinase II subunit alpha
CHEMBL3629
Ki 6.1 6.1 794.3 1
Serine/threonine-protein kinase Nek4
CHEMBL5819
Ki 6.1 6.1 794.3 1
cGMP-dependent protein kinase 1
CHEMBL4273
Ki 6.1 6.1 794.3 1
Cyclin-dependent kinase 1
CHEMBL308
Ki 6.0 6.0 1000.0 1
Serine/threonine-protein kinase D2
CHEMBL4900
Ki 6.0 6.0 1000.0 1
MAP/microtubule affinity-regulating kinase 3
CHEMBL5600
Ki 6.0 6.0 1000.0 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
Ki 5.9 5.9 1258.9 1
Serine/threonine-protein kinase pim-3
CHEMBL5407
Ki 5.9 5.9 1258.9 1
Tyrosine-protein kinase FRK
CHEMBL4223
Ki 5.9 5.9 1258.9 1
3-phosphoinositide-dependent protein kinase 1
CHEMBL2534
Ki 5.9 5.9 1258.9 1
Rho-associated protein kinase 1
CHEMBL3231
Ki 5.9 5.9 1258.9 1
Tyrosine-protein kinase JAK2
CHEMBL2971
Ki 5.9 5.9 1258.9 1
Aurora kinase B
CHEMBL2185
Ki 5.8 5.8 1584.9 1
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
Ki 5.8 5.8 1584.9 1
Protein kinase C gamma type
CHEMBL2938
Ki 5.8 5.8 1584.9 1
Calcium/calmodulin-dependent protein kinase type II subunit gamma
CHEMBL3829
Ki 5.7 5.7 1995.3 1
SRSF protein kinase 1
CHEMBL4375
Ki 5.6 5.6 2511.9 1
Ribosomal protein S6 kinase alpha-3
CHEMBL2345
Ki 5.6 5.6 2511.9 1
Mitogen-activated protein kinase 9
CHEMBL4179
Ki 5.5 5.5 3162.3 1
Mitogen-activated protein kinase 8
CHEMBL2276
Ki 5.5 5.5 3162.3 1
Misshapen-like kinase 1
CHEMBL5518
Ki 5.5 5.5 3162.3 1
Calcium/calmodulin-dependent protein kinase type II subunit beta
CHEMBL4121
Ki 5.4 5.4 3981.1 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 = 6.31 nM 8.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity tyrosine-phosphorylation-regulated kinase 3 Ki = 10.0 nM 8.0 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... -
Serine/threonine-protein kinase N2 Ki = 25.12 nM 7.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Glycogen synthase kinase-3 beta Ki = 25.12 nM 7.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity tyrosine-phosphorylation-regulated kinase 4 Ki = 50.12 nM 7.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Casein kinase I isoform gamma-2 Ki = 63.1 nM 7.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Casein kinase I isoform gamma-3 Ki = 79.43 nM 7.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Homeodomain-interacting protein kinase 2 Ki = 79.43 nM 7.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Casein kinase I isoform gamma-1 Ki = 79.43 nM 7.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Casein kinase I isoform alpha Ki = 100.0 nM 7.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Casein kinase I isoform delta Ki = 158.49 nM 6.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase D3 Ki = 199.53 nM 6.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
MAP kinase-interacting serine/threonine-protein kinase 2 Ki = 199.53 nM 6.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase 17A Ki = 199.53 nM 6.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase 12 Ki = 251.19 nM 6.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Interleukin-1 receptor-associated kinase 1 Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase PLK4 Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Rho-associated protein kinase 2 Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase 1 Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -

Data from ChEMBL 36 via Core Engine