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Compound Detail

CHEMBL1080731

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CCOC(=O)c1c(C(=O)c2ccc(C(F)(F)F)cc2)c(C2CCCC2)nc2c1[C@@H](O)CC(C)(C)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1080731
Phase Preclinical
Structure Type MOL
InChI Key NUUAAEWPIAAMPD-IBGZPJMESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

489.5
MW (Da)
6.17
ALogP
5
HBA
1
HBD
76.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H30F3NO4
MW 489.53
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.19

Literature References

PubMed DOI Target Context # Activities
20137927 10.1016/j.bmcl.2010.01.071 Cholesteryl ester transfer protein 1

Data from ChEMBL 36 via Core Engine