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Compound Detail

CHEMBL5570698

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COc1cc(Br)c(C=O)nc1N(C)C(=O)Nc1cc(O[C@H](C)c2c(Cl)cncc2Cl)c(C#N)cn1

Basic Information

ChEMBL ID CHEMBL5570698
Phase Preclinical
Structure Type MOL
InChI Key HKWFQDKAAOQIMJ-LLVKDONJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

580.2
MW (Da)
5.44
ALogP
8
HBA
1
HBD
130.3
PSA (Ų)
0.37
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17BrCl2N6O4
MW 580.23
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.99

Activity Summary

IC50 1 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 6.85 6.85 139.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38348819 10.1021/acs.jmedchem.3c01810 Fibroblast growth factor receptor 4 1
38348819 10.1021/acs.jmedchem.3c01810 BaF3 1
38348819 10.1021/acs.jmedchem.3c01810 Hep 3B2 1

Data from ChEMBL 36 via Core Engine