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Compound Detail

CHEMBL5272088

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C=CC(=O)N1CC[C@H](n2nc(-c3cnc4ccccc4c3)c3c(N)ncnc32)C1

Basic Information

ChEMBL ID CHEMBL5272088
Phase Preclinical
Structure Type MOL
InChI Key SJLAAMAKAKHNLF-HNNXBMFYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

385.4
MW (Da)
2.58
ALogP
7
HBA
1
HBD
102.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N7O
MW 385.43
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.00

Activity Summary

IC50 2 meas. best 6.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 6.59 6.59 255.0 1
Epidermal growth factor receptor
CHEMBL203
IC50 6.13 6.13 741.0 1

Activity Data Samples

Top measurements by pChEMBL value

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