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Compound Detail

CHEMBL6054427

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C=CC(=O)Nc1cc(N2CC3(CCN(CC)CC3)C2)ccc1Nc1cc(N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)ncn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6054427
Phase Preclinical
Structure Type MOL
InChI Key LGGGGQSCTZIUDU-UHFFFAOYSA-N
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

669.6
MW (Da)
6.26
ALogP
9
HBA
3
HBD
124.2
PSA (Ų)
0.21
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H38Cl2N8O4
MW 669.61
Aromatic Rings 3
Heavy Atoms 46
NP-Likeness -0.94

Activity Summary

IC50 8 meas. best 8.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 4
CHEMBL3973
 IC50 8.89 8.89 1.3 2
Fibroblast growth factor receptor 2
CHEMBL4142
 IC50 6.78 6.78 165.0 2
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 6.42 6.42 382.0 2
Fibroblast growth factor receptor 3
CHEMBL2742
 IC50 6.36 6.36 439.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor 4 IC50 = 1.3 nM 8.89 Inhibition Assay: The experimental procedure is briefly described as follows: th... -
Fibroblast growth factor receptor 4 IC50 = 1.3 nM 8.89 Determination of the Effect of the Compounds of the Present Invention Against FG... -
Fibroblast growth factor receptor 2 IC50 = 165.0 nM 6.78 Inhibition Assay: The experimental procedure is briefly described as follows: th... -
Fibroblast growth factor receptor 2 IC50 = 165.0 nM 6.78 Determination of the Effect of the Compounds of the Present Invention Against FG... -
Fibroblast growth factor receptor 1 IC50 = 382.0 nM 6.42 Inhibition Assay: The experimental procedure is briefly described as follows: th... -
Fibroblast growth factor receptor 1 IC50 = 382.0 nM 6.42 Determination of the Effect of the Compounds of the Present Invention Against FG... -
Fibroblast growth factor receptor 3 IC50 = 439.0 nM 6.36 Inhibition Assay: The experimental procedure is briefly described as follows: th... -
Fibroblast growth factor receptor 3 IC50 = 439.0 nM 6.36 Determination of the Effect of the Compounds of the Present Invention Against FG... -

Data from ChEMBL 36 via Core Engine