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Compound Detail

CHEMBL5180433

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COC(=O)C1CCCCN1Cc1ccc(OCc2cccc(C#N)c2)cc1Oc1cc(=O)oc2c1ccc1ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5180433
Phase Preclinical
Structure Type MOL
InChI Key CNKXDXBTVNWUCX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

574.6
MW (Da)
6.72
ALogP
8
HBA
0
HBD
102.0
PSA (Ų)
0.11
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H30N2O6
MW 574.63
Aromatic Rings 5
Heavy Atoms 43
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
34954618 10.1016/j.bmc.2021.116579 Unchecked 1

Data from ChEMBL 36 via Core Engine