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Compound Detail

CHEMBL4791334

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Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCC(=O)n2nc(N)c3c(-c4cccc(NC(=O)Nc5cccc(C(C)C)c5)c4)cccc32)C(C)(C)C)cc1

Basic Information

ChEMBL ID CHEMBL4791334
Phase Preclinical
Structure Type MOL
InChI Key XCMSXWSOOSQEDL-PDZNDIJHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

940.2
MW (Da)
8.88
ALogP
11
HBA
6
HBD
213.7
PSA (Ų)
0.05
QED
4
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C52H61N9O6S
MW 940.18
Aromatic Rings 6
Heavy Atoms 68
NP-Likeness -0.66

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