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Compound Detail

CHEMBL4779409

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CCCCCCCCCC(=O)NC(CO)(CO)CCc1ccc(CCCCCCCC)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4779409
Phase Preclinical
Structure Type MOL
InChI Key FZWYPFYQOMDOLE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

511.8
MW (Da)
7.66
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.15
QED
2
Ro5 Violations
21
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H53NO3
MW 511.79
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness 0.13

Literature References

PubMed DOI Target Context # Activities
33592537 10.1016/j.ejmech.2021.113274 HT-29 1

Data from ChEMBL 36 via Core Engine