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Compound Detail

CHEMBL5273680

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CCCCCCCCc1ccc(OCC(=O)Cn2c(C)c(CCC(=O)O)c(C(=O)C(C)C)c2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5273680
Phase Preclinical
Structure Type MOL
InChI Key XBSIEFYMKGNJRD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

497.7
MW (Da)
6.51
ALogP
5
HBA
1
HBD
85.6
PSA (Ų)
0.20
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H43NO5
MW 497.68
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -0.02

Literature References

PubMed DOI Target Context # Activities
36495814 10.1016/j.bmc.2022.117110 Unchecked 2
36495814 10.1016/j.bmc.2022.117110 ADMET 2

Data from ChEMBL 36 via Core Engine