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Compound Detail

CHEMBL3701282

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CCC(=O)N1CC[C@H](n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1

Basic Information

ChEMBL ID CHEMBL3701282
Phase Preclinical
Structure Type MOL
InChI Key DZLNAZQOANZLHT-HNNXBMFYSA-N
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
2.01
ALogP
8
HBA
1
HBD
108.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24N6O3
MW 420.47
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.13

Activity Summary

IC50 5 meas. best 6.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 6.72 6.6925 190.0 4
SNU-16
CHEMBL613529
IC50 5.85 5.85 1420.0 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
37077386 10.1021/acsmedchemlett.3c00006 SNU-16 1
37077386 10.1021/acsmedchemlett.3c00006 SNU1 1

Data from ChEMBL 36 via Core Engine