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Compound Detail

CHEMBL1997846

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Clc1cc(NC2CCCCC2)nc(-c2c[nH]c3ncccc23)n1

Basic Information

ChEMBL ID CHEMBL1997846
Phase Preclinical
Structure Type MOL
InChI Key MASJMHFQMYAPJR-UHFFFAOYSA-N
77
Targets
77
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

327.8
MW (Da)
4.42
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.70
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 C17H18ClN5
MW 327.82
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.27

Activity Summary

Ki 77 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cell division cycle 7-related protein kinase
CHEMBL5443
Ki 8.7 8.7 2.0 1
Misshapen-like kinase 1
CHEMBL5518
Ki 8.2 8.2 6.3 1
Serine/threonine-protein kinase MRCK alpha
CHEMBL4516
Ki 7.4 7.4 39.8 1
3-phosphoinositide-dependent protein kinase 1
CHEMBL2534
Ki 7.1 7.1 79.4 1
Dual specificity tyrosine-phosphorylation-regulated kinase 3
CHEMBL4575
Ki 7.0 7.0 100.0 1
Serine/threonine-protein kinase N2
CHEMBL3032
Ki 6.9 6.9 125.9 1
Dual specificity protein kinase CLK4
CHEMBL4203
Ki 6.8 6.8 158.5 1
NT-3 growth factor receptor
CHEMBL5608
Ki 6.7 6.7 199.5 1
Proto-oncogene tyrosine-protein kinase ROS
CHEMBL5568
Ki 6.7 6.7 199.5 1
Testis-specific serine/threonine-protein kinase 1
CHEMBL6003
Ki 6.6 6.6 251.2 1
Dual specificity mitogen-activated protein kinase kinase 1
CHEMBL3587
Ki 6.6 6.6 251.2 1
Casein kinase II subunit alpha
CHEMBL3629
Ki 6.6 6.6 251.2 1
Maternal embryonic leucine zipper kinase
CHEMBL4578
Ki 6.5 6.5 316.2 1
Serine/threonine-protein kinase Chk2
CHEMBL2527
Ki 6.5 6.5 316.2 1
Protein kinase C delta type
CHEMBL2996
Ki 6.5 6.5 316.2 1
Tyrosine-protein kinase SYK
CHEMBL2599
Ki 6.5 6.5 316.2 1
cAMP-dependent protein kinase catalytic subunit alpha
CHEMBL4101
Ki 6.4 6.4 398.1 1
Mitogen-activated protein kinase kinase kinase kinase 2
CHEMBL5330
Ki 6.4 6.4 398.1 1
Tyrosine-protein kinase Fer
CHEMBL3982
Ki 6.4 6.4 398.1 1
Tyrosine-protein kinase Blk
CHEMBL2250
Ki 6.4 6.4 398.1 1
cAMP-dependent protein kinase catalytic subunit PRKX
CHEMBL5818
Ki 6.3 6.3 501.2 1
Protein kinase C gamma type
CHEMBL2938
Ki 6.3 6.3 501.2 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
CHEMBL5543
Ki 6.3 6.3 501.2 1
Serine/threonine-protein kinase PLK1
CHEMBL3024
Ki 6.3 6.3 501.2 1
Ribosomal protein S6 kinase beta-1
CHEMBL4501
Ki 6.3 6.3 501.2 1
cGMP-dependent protein kinase 1
CHEMBL4273
Ki 6.3 6.3 501.2 1
STE20-like serine/threonine-protein kinase
CHEMBL4202
Ki 6.3 6.3 501.2 1
Homeodomain-interacting protein kinase 2
CHEMBL4576
Ki 6.2 6.2 631.0 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
Ki 6.2 6.2 631.0 1
Tyrosine-protein kinase Lyn
CHEMBL3905
Ki 6.2 6.2 631.0 1
Macrophage-stimulating protein receptor
CHEMBL2689
Ki 6.1 6.1 794.3 1
Serine/threonine-protein kinase Sgk2
CHEMBL5794
Ki 6.1 6.1 794.3 1
MAP/microtubule affinity-regulating kinase 3
CHEMBL5600
Ki 6.1 6.1 794.3 1
Epidermal growth factor receptor
CHEMBL203
Ki 6.1 6.1 794.3 1
Serine/threonine-protein kinase PAK 4
CHEMBL4482
Ki 6.1 6.1 794.3 1
Vascular endothelial growth factor receptor 3
CHEMBL1955
Ki 6.0 6.0 1000.0 1
Protein kinase C iota type
CHEMBL2598
Ki 6.0 6.0 1000.0 1
Aurora kinase B
CHEMBL2185
Ki 6.0 6.0 1000.0 1
Serine/threonine-protein kinase 3
CHEMBL4708
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 Chk1
CHEMBL4630
Ki 6.0 6.0 1000.0 1
Casein kinase I isoform gamma-2
CHEMBL2543
Ki 5.9 5.9 1258.9 1
Homeodomain-interacting protein kinase 4
CHEMBL1075167
Ki 5.9 5.9 1258.9 1
Glycogen synthase kinase-3 alpha
CHEMBL2850
Ki 5.9 5.9 1258.9 1
Casein kinase I isoform delta
CHEMBL2828
Ki 5.9 5.9 1258.9 1
Mitogen-activated protein kinase kinase kinase kinase 5
CHEMBL4852
Ki 5.9 5.9 1258.9 1
Protein kinase C zeta type
CHEMBL3438
Ki 5.9 5.9 1258.9 1
Dual specificity tyrosine-phosphorylation-regulated kinase 4
CHEMBL1075115
Ki 5.9 5.9 1258.9 1
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
Ki 5.9 5.9 1258.9 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 5.9 5.9 1258.9 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 = 1.995 nM 8.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Misshapen-like kinase 1 Ki = 6.31 nM 8.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase MRCK alpha Ki = 39.81 nM 7.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
3-phosphoinositide-dependent protein kinase 1 Ki = 79.43 nM 7.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity tyrosine-phosphorylation-regulated kinase 3 Ki = 100.0 nM 7.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase N2 Ki = 125.89 nM 6.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity protein kinase CLK4 Ki = 158.49 nM 6.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
NT-3 growth factor receptor Ki = 199.53 nM 6.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Proto-oncogene tyrosine-protein kinase ROS Ki = 199.53 nM 6.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Casein kinase II subunit alpha Ki = 251.19 nM 6.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Testis-specific serine/threonine-protein kinase 1 Ki = 251.19 nM 6.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity mitogen-activated protein kinase kinase 1 Ki = 251.19 nM 6.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Protein kinase C delta type Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Maternal embryonic leucine zipper kinase Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase Chk2 Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase SYK Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
cAMP-dependent protein kinase catalytic subunit alpha Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase Fer Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase kinase kinase kinase 2 Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase Blk 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