Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1971186

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Fc1ccc(-c2nc3occn3c2-c2ccnc(NC3CCNCC3)n2)cc1

Basic Information

ChEMBL ID CHEMBL1971186
Phase Preclinical
Structure Type MOL
InChI Key MGNQNQOSSLCUFP-UHFFFAOYSA-N
19
Targets
19
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
3.35
ALogP
7
HBA
2
HBD
80.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19FN6O
MW 378.41
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.16

Activity Summary

Ki 19 meas. best 7.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 9
CHEMBL4179
Ki 7.2 7.2 63.1 1
Serine/threonine-protein kinase D2
CHEMBL4900
Ki 7.1 7.1 79.4 1
Casein kinase I isoform alpha
CHEMBL2793
Ki 6.9 6.9 125.9 1
Mitogen-activated protein kinase 8
CHEMBL2276
Ki 6.8 6.8 158.5 1
Serine/threonine-protein kinase D3
CHEMBL2595
Ki 6.7 6.7 199.5 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 6.7 6.7 199.5 1
Casein kinase I isoform gamma-3
CHEMBL5084
Ki 6.6 6.6 251.2 1
ALK tyrosine kinase receptor
CHEMBL4247
Ki 6.3 6.3 501.2 1
Casein kinase I isoform gamma-1
CHEMBL2426
Ki 6.1 6.1 794.3 1
Casein kinase I isoform gamma-2
CHEMBL2543
Ki 6.0 6.0 1000.0 1
Serine/threonine-protein kinase pim-2
CHEMBL4523
Ki 6.0 6.0 1000.0 1
Aurora kinase B
CHEMBL2185
Ki 6.0 6.0 1000.0 1
Mitogen-activated protein kinase 1
CHEMBL4040
Ki 5.9 5.9 1258.9 1
Serine/threonine-protein kinase TAO1
CHEMBL5261
Ki 5.9 5.9 1258.9 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
Ki 5.7 5.7 1995.3 1
Homeodomain-interacting protein kinase 2
CHEMBL4576
Ki 5.5 5.5 3162.3 1
Glycogen synthase kinase-3 alpha
CHEMBL2850
Ki 5.4 5.4 3981.1 1
Misshapen-like kinase 1
CHEMBL5518
Ki 5.4 5.4 3981.1 1
Dual specificity protein kinase CLK2
CHEMBL4225
Ki 5.1 5.1 7943.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 9 Ki = 63.1 nM 7.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase D2 Ki = 79.43 nM 7.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Casein kinase I isoform alpha Ki = 125.89 nM 6.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase 8 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... -
Glycogen synthase kinase-3 beta Ki = 199.53 nM 6.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Casein kinase I isoform gamma-3 Ki = 251.19 nM 6.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
ALK tyrosine kinase receptor Ki = 501.19 nM 6.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Casein kinase I isoform gamma-1 Ki = 794.33 nM 6.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Casein kinase I isoform gamma-2 Ki = 1000.0 nM 6.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase pim-2 Ki = 1000.0 nM 6.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Aurora kinase B Ki = 1000.0 nM 6.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase TAO1 Ki = 1258.93 nM 5.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase 1 Ki = 1258.93 nM 5.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase kinase kinase kinase 4 Ki = 1995.26 nM 5.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Homeodomain-interacting protein kinase 2 Ki = 3162.28 nM 5.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Glycogen synthase kinase-3 alpha Ki = 3981.07 nM 5.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Misshapen-like kinase 1 Ki = 3981.07 nM 5.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity protein kinase CLK2 Ki = 7943.28 nM 5.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -

Data from ChEMBL 36 via Core Engine