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

CHEMBL2004438

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
Nc1c(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccc2nccnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2004438
Phase Preclinical
Structure Type MOL
InChI Key DOLVPVSWTLFZMQ-UHFFFAOYSA-N
22
Targets
22
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

423.4
MW (Da)
5.54
ALogP
4
HBA
3
HBD
92.9
PSA (Ų)
0.38
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16F3N5O
MW 423.40
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.30

Activity Summary

Ki 22 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclin-dependent kinase 8
CHEMBL5719
 Ki 8.7 8.7 2.0 1
Platelet-derived growth factor receptor beta
CHEMBL1913
 Ki 7.6 7.6 25.1 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
 Ki 7.6 7.6 25.1 1
Vascular endothelial growth factor receptor 2
CHEMBL279
 Ki 7.4 7.4 39.8 1
Proto-oncogene tyrosine-protein kinase receptor Ret
CHEMBL2041
 Ki 7.2 7.2 63.1 1
Platelet-derived growth factor receptor alpha
CHEMBL2007
 Ki 7.1 7.1 79.4 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
 Ki 7.0 7.0 100.0 1
Mast/stem cell growth factor receptor Kit
CHEMBL1936
 Ki 6.8 6.8 158.5 1
Vascular endothelial growth factor receptor 3
CHEMBL1955
 Ki 6.6 6.6 251.2 1
Mitogen-activated protein kinase 14
CHEMBL260
 Ki 6.5 6.5 316.2 1
Tyrosine-protein kinase ITK/TSK
CHEMBL2959
 Ki 6.5 6.5 316.2 1
BDNF/NT-3 growth factors receptor
CHEMBL4898
 Ki 6.5 6.5 316.2 1
Tyrosine-protein kinase Blk
CHEMBL2250
 Ki 6.4 6.4 398.1 1
Ribosomal protein S6 kinase beta-1
CHEMBL4501
 Ki 6.4 6.4 398.1 1
NT-3 growth factor receptor
CHEMBL5608
 Ki 6.3 6.3 501.2 1
Ephrin type-A receptor 2
CHEMBL2068
 Ki 6.3 6.3 501.2 1
Rho-associated protein kinase 2
CHEMBL2973
 Ki 6.2 6.2 631.0 1
Tyrosine-protein kinase Lyn
CHEMBL3905
 Ki 5.9 5.9 1258.9 1
Tyrosine-protein kinase Lck
CHEMBL258
 Ki 5.8 5.8 1584.9 1
Aurora kinase B
CHEMBL2185
 Ki 5.8 5.8 1584.9 1
Protein kinase C gamma type
CHEMBL2938
 Ki 5.4 5.4 3981.1 1
Serine/threonine-protein kinase PLK4
CHEMBL3788
 Ki 5.4 5.4 3981.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cyclin-dependent kinase 8 Ki = 1.995 nM 8.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Macrophage colony-stimulating factor 1 receptor Ki = 25.12 nM 7.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Platelet-derived growth factor receptor beta Ki = 25.12 nM 7.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 2 Ki = 39.81 nM 7.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Proto-oncogene tyrosine-protein kinase receptor Ret Ki = 63.1 nM 7.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Platelet-derived growth factor receptor alpha Ki = 79.43 nM 7.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Receptor-type tyrosine-protein kinase FLT3 Ki = 100.0 nM 7.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mast/stem cell growth factor receptor Kit Ki = 158.49 nM 6.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 3 Ki = 251.19 nM 6.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
BDNF/NT-3 growth factors receptor Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase ITK/TSK Ki = 316.23 nM 6.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Mitogen-activated protein kinase 14 Ki = 316.23 nM 6.5 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 Blk Ki = 398.11 nM 6.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
NT-3 growth factor receptor Ki = 501.19 nM 6.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Ephrin type-A receptor 2 Ki = 501.19 nM 6.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Rho-associated protein kinase 2 Ki = 630.96 nM 6.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase Lyn Ki = 1258.93 nM 5.9 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Aurora kinase B Ki = 1584.89 nM 5.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase Lck Ki = 1584.89 nM 5.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -

Data from ChEMBL 36 via Core Engine