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Compound Detail

CHEMBL4792511

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Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4c3c(N)nn4C(=O)CCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(-c4scnc4C)cc3)C(C)(C)C)cc2)c1

Basic Information

ChEMBL ID CHEMBL4792511
Phase Preclinical
Structure Type MOL
InChI Key MLMBGRMBVNUKFH-RIXQQIMYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

930.1
MW (Da)
8.21
ALogP
11
HBA
6
HBD
213.7
PSA (Ų)
0.05
QED
4
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C50H56FN9O6S
MW 930.12
Aromatic Rings 6
Heavy Atoms 67
NP-Likeness -0.93

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
32750566 10.1016/j.ejmech.2020.112654 Vascular endothelial growth factor receptor 2 1
32750566 10.1016/j.ejmech.2020.112654 EA.hy 926 1
32750566 10.1016/j.ejmech.2020.112654 HEK293 1

Data from ChEMBL 36 via Core Engine