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Compound Detail

CHEMBL1973145

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Cc1cccc(NC(=O)Nc2ccc(-c3csc4nc(N)nc(N)c34)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1973145
Phase Preclinical
Structure Type MOL
InChI Key RAPYFGJGASETOS-UHFFFAOYSA-N
16
Targets
16
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

390.5
MW (Da)
4.48
ALogP
6
HBA
4
HBD
119.0
PSA (Ų)
0.41
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 C20H18N6OS
MW 390.47
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.71

Activity Summary

Ki 16 meas. best 8.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage colony-stimulating factor 1 receptor
CHEMBL1844
 Ki 8.5 8.5 3.2 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
 Ki 8.5 8.5 3.2 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
 Ki 8.1 8.1 7.9 1
Vascular endothelial growth factor receptor 2
CHEMBL279
 Ki 7.6 7.6 25.1 1
Proto-oncogene tyrosine-protein kinase receptor Ret
CHEMBL2041
 Ki 7.1 7.1 79.4 1
Tyrosine-protein kinase receptor UFO
CHEMBL4895
 Ki 7.0 7.0 100.0 1
Vascular endothelial growth factor receptor 3
CHEMBL1955
 Ki 6.8 6.8 158.5 1
Aurora kinase B
CHEMBL2185
 Ki 6.7 6.7 199.5 1
NT-3 growth factor receptor
CHEMBL5608
 Ki 6.3 6.3 501.2 1
Homeodomain-interacting protein kinase 4
CHEMBL1075167
 Ki 6.2 6.2 631.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
 Ki 6.2 6.2 631.0 1
Interleukin-1 receptor-associated kinase 1
CHEMBL3357
 Ki 5.4 5.4 3981.1 1
Dual specificity protein kinase CLK4
CHEMBL4203
 Ki 5.4 5.4 3981.1 1
Ribosomal protein S6 kinase beta-1
CHEMBL4501
 Ki 5.3 5.3 5011.9 1
SRSF protein kinase 1
CHEMBL4375
 Ki 5.2 5.2 6309.6 1
Serine/threonine-protein kinase D3
CHEMBL2595
 Ki 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Macrophage colony-stimulating factor 1 receptor Ki = 3.162 nM 8.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 1 Ki = 3.162 nM 8.5 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Receptor-type tyrosine-protein kinase FLT3 Ki = 7.943 nM 8.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 2 Ki = 25.12 nM 7.6 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Proto-oncogene tyrosine-protein kinase receptor Ret Ki = 79.43 nM 7.1 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Tyrosine-protein kinase receptor UFO Ki = 100.0 nM 7.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Vascular endothelial growth factor receptor 3 Ki = 158.49 nM 6.8 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Aurora kinase B Ki = 199.53 nM 6.7 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... -
Fibroblast growth factor receptor 1 Ki = 630.96 nM 6.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Homeodomain-interacting protein kinase 4 Ki = 630.96 nM 6.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Interleukin-1 receptor-associated kinase 1 Ki = 3981.07 nM 5.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Dual specificity protein kinase CLK4 Ki = 3981.07 nM 5.4 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Ribosomal protein S6 kinase beta-1 Ki = 5011.87 nM 5.3 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
SRSF protein kinase 1 Ki = 6309.57 nM 5.2 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -
Serine/threonine-protein kinase D3 Ki = 10000.0 nM 5.0 PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... -

Data from ChEMBL 36 via Core Engine