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Compound Detail

CHEMBL5783086

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C=CC(=O)Nc1cc(N2CCC3(CCNCC3)C2)ccc1Nc1cc(N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5783086
Phase Preclinical
Structure Type MOL
InChI Key NKSMOAXTYKWSEW-UHFFFAOYSA-N
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

655.6
MW (Da)
5.92
ALogP
9
HBA
4
HBD
133.0
PSA (Ų)
0.21
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H36Cl2N8O4
MW 655.59
Aromatic Rings 3
Heavy Atoms 45
NP-Likeness -0.75

Activity Summary

IC50 8 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 4
CHEMBL3973
 IC50 8.7 8.7 2.0 2
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 6.33 6.33 465.0 2
Fibroblast growth factor receptor 3
CHEMBL2742
 IC50 6.15 6.15 715.0 2
Fibroblast growth factor receptor 2
CHEMBL4142
 IC50 5.62 5.62 2428.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor 4 IC50 = 2.0 nM 8.7 Inhibition Assay: The experimental procedure is briefly described as follows: th... -
Fibroblast growth factor receptor 4 IC50 = 2.0 nM 8.7 Determination of the Effect of the Compounds of the Present Invention Against FG... -
Fibroblast growth factor receptor 1 IC50 = 465.0 nM 6.33 Inhibition Assay: The experimental procedure is briefly described as follows: th... -
Fibroblast growth factor receptor 1 IC50 = 465.0 nM 6.33 Determination of the Effect of the Compounds of the Present Invention Against FG... -
Fibroblast growth factor receptor 3 IC50 = 715.0 nM 6.15 Inhibition Assay: The experimental procedure is briefly described as follows: th... -
Fibroblast growth factor receptor 3 IC50 = 715.0 nM 6.15 Determination of the Effect of the Compounds of the Present Invention Against FG... -
Fibroblast growth factor receptor 2 IC50 = 2428.0 nM 5.62 Inhibition Assay: The experimental procedure is briefly described as follows: th... -
Fibroblast growth factor receptor 2 IC50 = 2428.0 nM 5.62 Determination of the Effect of the Compounds of the Present Invention Against FG... -

Data from ChEMBL 36 via Core Engine