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Compound Detail

CHEMBL5761402

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C=CC(=O)Nc1cc(N2CC3(CCNCC3)C2)ccc1Nc1cc(N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5761402
Phase Preclinical
Structure Type MOL
InChI Key RMBOTBYLWKFONE-UHFFFAOYSA-N
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

641.6
MW (Da)
5.53
ALogP
9
HBA
4
HBD
133.0
PSA (Ų)
0.22
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H34Cl2N8O4
MW 641.56
Aromatic Rings 3
Heavy Atoms 44
NP-Likeness -0.72

Activity Summary

IC50 8 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 4
CHEMBL3973
 IC50 8.3 8.3 5.0 2
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 6.8 6.8 160.0 2
Fibroblast growth factor receptor 3
CHEMBL2742
 IC50 6.25 6.25 557.0 2
Fibroblast growth factor receptor 2
CHEMBL4142
 IC50 6.11 6.11 777.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor 4 IC50 = 5.0 nM 8.3 Inhibition Assay: The experimental procedure is briefly described as follows: th... -
Fibroblast growth factor receptor 4 IC50 = 5.0 nM 8.3 Determination of the Effect of the Compounds of the Present Invention Against FG... -
Fibroblast growth factor receptor 1 IC50 = 160.0 nM 6.8 Inhibition Assay: The experimental procedure is briefly described as follows: th... -
Fibroblast growth factor receptor 1 IC50 = 160.0 nM 6.8 Determination of the Effect of the Compounds of the Present Invention Against FG... -
Fibroblast growth factor receptor 3 IC50 = 557.0 nM 6.25 Inhibition Assay: The experimental procedure is briefly described as follows: th... -
Fibroblast growth factor receptor 3 IC50 = 557.0 nM 6.25 Determination of the Effect of the Compounds of the Present Invention Against FG... -
Fibroblast growth factor receptor 2 IC50 = 777.0 nM 6.11 Inhibition Assay: The experimental procedure is briefly described as follows: th... -
Fibroblast growth factor receptor 2 IC50 = 777.0 nM 6.11 Determination of the Effect of the Compounds of the Present Invention Against FG... -

Data from ChEMBL 36 via Core Engine