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Compound Detail

CHEMBL2029478

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CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C(C)(C)C)n2)c2cc(C(F)(F)F)ccc2N1C(=O)OC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2029478
Phase Preclinical
Structure Type MOL
InChI Key IDEDJVXIRXQBEG-QPPBQGQZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

680.6
MW (Da)
8.77
ALogP
7
HBA
0
HBD
76.4
PSA (Ų)
0.24
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H33F9N6O2
MW 680.62
Aromatic Rings 3
Heavy Atoms 47
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
22543028 10.1016/j.bmcl.2012.04.042 Cholesteryl ester transfer protein 1

Data from ChEMBL 36 via Core Engine