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Compound Detail

CHEMBL5273555

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C=CC(=O)N1CC[C@H](n2nc(CCc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5273555
Phase Preclinical
Structure Type MOL
InChI Key IKDKTOHLOYUENF-HNNXBMFYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

422.5
MW (Da)
2.17
ALogP
8
HBA
1
HBD
108.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N6O3
MW 422.49
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.51

Activity Summary

IC50 1 meas. best 6.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 2
CHEMBL4142
 IC50 6.62 6.62 239.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor 2 IC50 = 239.0 nM 6.62 Inhibition of human recombinant cytoplasmic domain FGFR2 (8 to 134 residues) inc... 37077386

Literature References

PubMed DOI Target Context # Activities
37077386 10.1021/acsmedchemlett.3c00006 Fibroblast growth factor receptor 2 1
37077386 10.1021/acsmedchemlett.3c00006 Epidermal growth factor receptor 1

Data from ChEMBL 36 via Core Engine