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

CHEMBL1976732

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
CC(C)(O)Cc1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12

Basic Information

ChEMBL ID CHEMBL1976732
Phase Preclinical
Structure Type MOL
InChI Key QKFXSCNWJZKJSJ-UHFFFAOYSA-N
12
Targets
12
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

410.4
MW (Da)
3.29
ALogP
8
HBA
1
HBD
93.8
PSA (Ų)
0.49
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 C20H16F2N6O2
MW 410.38
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -1.50

Activity Summary

Ki 12 meas. best 6.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Misshapen-like kinase 1
CHEMBL5518
Ki 6.9 6.9 125.9 1
MAP/microtubule affinity-regulating kinase 3
CHEMBL5600
Ki 6.9 6.9 125.9 1
Serine/threonine-protein kinase D3
CHEMBL2595
Ki 6.2 6.2 631.0 1
Glycogen synthase kinase-3 beta
CHEMBL262
Ki 6.2 6.2 631.0 1
Mitogen-activated protein kinase kinase kinase kinase 4
CHEMBL6166
Ki 6.2 6.2 631.0 1
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
Ki 6.1 6.1 794.3 1
Receptor tyrosine-protein kinase erbB-2
CHEMBL1824
Ki 6.0 6.0 1000.0 1
Epidermal growth factor receptor
CHEMBL203
Ki 5.9 5.9 1258.9 1
Mitogen-activated protein kinase 9
CHEMBL4179
Ki 5.7 5.7 1995.3 1
Serine/threonine-protein kinase D2
CHEMBL4900
Ki 5.6 5.6 2511.9 1
Casein kinase I isoform delta
CHEMBL2828
Ki 5.5 5.5 3162.3 1
Serine/threonine-protein kinase TAO1
CHEMBL5261
Ki 5.1 5.1 7943.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MAP/microtubule affinity-regulating kinase 3 Ki = 125.89 nM 6.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Misshapen-like kinase 1 Ki = 125.89 nM 6.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase kinase kinase kinase 4 Ki = 630.96 nM 6.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase D3 Ki = 630.96 nM 6.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Glycogen synthase kinase-3 beta 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 = 794.33 nM 6.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Receptor tyrosine-protein kinase erbB-2 Ki = 1000.0 nM 6.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Epidermal growth factor receptor Ki = 1258.93 nM 5.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase 9 Ki = 1995.26 nM 5.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase D2 Ki = 2511.89 nM 5.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Casein kinase I isoform delta Ki = 3162.28 nM 5.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase TAO1 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