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Compound Detail

CHEMBL1834656

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COc1ccc(Cl)c(NC(=O)N(C)c2cc(Nc3ccc(N4CCN(C)CC4)cc3)ncn2)c1Cl

Basic Information

ChEMBL ID CHEMBL1834656
Phase Preclinical
Structure Type MOL
InChI Key HIBULDBIIVNLNE-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

516.4
MW (Da)
4.96
ALogP
7
HBA
2
HBD
85.9
PSA (Ų)
0.48
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H27Cl2N7O2
MW 516.43
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.49

Activity Summary

IC50 2 meas. best 7.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 7.27 7.27 54.0 1
BaF3
CHEMBL614524
IC50 6.93 6.93 118.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21936542 10.1021/jm2006222 BaF3 1
21936542 10.1021/jm2006222 Fibroblast growth factor receptor 3 1

Data from ChEMBL 36 via Core Engine