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Compound Detail

CHEMBL1985491

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Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4c3c(N)nn4C)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1985491
Phase Preclinical
Structure Type MOL
InChI Key GDEJPGKNPRJNGE-UHFFFAOYSA-N
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

389.4
MW (Da)
4.91
ALogP
4
HBA
3
HBD
85.0
PSA (Ų)
0.47
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 C22H20FN5O
MW 389.43
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.71

Activity Summary

Ki 7 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mast/stem cell growth factor receptor Kit
CHEMBL1936
 Ki 9.1 9.1 0.8 1
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
 Ki 8.7 8.7 2.0 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
 Ki 8.6 8.6 2.5 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
 Ki 8.6 8.6 2.5 1
Vascular endothelial growth factor receptor 3
CHEMBL1955
 Ki 8.5 8.5 3.2 1
Vascular endothelial growth factor receptor 2
CHEMBL279
 Ki 7.5 7.5 31.6 1
Tyrosine-protein kinase Lck
CHEMBL258
 Ki 5.8 5.8 1584.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mast/stem cell growth factor receptor Kit Ki = 0.7943 nM 9.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Macrophage colony-stimulating factor 1 receptor Ki = 1.995 nM 8.7 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Receptor-type tyrosine-protein kinase FLT3 Ki = 2.512 nM 8.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 1 Ki = 2.512 nM 8.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 3 Ki = 3.162 nM 8.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 2 Ki = 31.62 nM 7.5 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