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Compound Detail

CHEMBL1834655

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COc1ccc(Cl)c(NC(=O)Nc2cc(Nc3ccc(N4CCN(C)CC4)cc3)ncn2)c1Cl

Basic Information

ChEMBL ID CHEMBL1834655
Phase Preclinical
Structure Type MOL
InChI Key JEDUXCVVPNEFCQ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

502.4
MW (Da)
4.93
ALogP
7
HBA
3
HBD
94.7
PSA (Ų)
0.44
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 C23H25Cl2N7O2
MW 502.41
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.53

Activity Summary

IC50 2 meas. best 7.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 7.29 7.29 51.0 1
BaF3
CHEMBL614524
IC50 6.9 6.9 126.0 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