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Compound Detail

CHEMBL1099093

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CCCCCCCCCCCCCCCCCCCCCCCC(=O)NCCc1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1099093
Phase Preclinical
Structure Type MOL
InChI Key XCBHQBOPFMVQJD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

487.8
MW (Da)
9.65
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.13
QED
1
Ro5 Violations
25
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C32H57NO2
MW 487.81
Aromatic Rings 1
Heavy Atoms 35
NP-Likeness -0.02

Literature References

PubMed DOI Target Context # Activities
20413315 10.1016/j.bmc.2010.03.040 A549 1
20413315 10.1016/j.bmc.2010.03.040 DLD-1 1
20413315 10.1016/j.bmc.2010.03.040 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine