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Compound Detail

CHEMBL4099285

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CC[C@@H]1C[C@H](N(Cc2cc(OC)cc(C(F)(F)F)c2)c2ncc(Br)cn2)C[C@H](Cc2ccccc2)N1C(=O)OC(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4099285
Phase Preclinical
Structure Type MOL
InChI Key QVYBBHNZDUNNTK-PVHODMMVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

663.6
MW (Da)
8.06
ALogP
6
HBA
0
HBD
67.8
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H38BrF3N4O3
MW 663.58
Aromatic Rings 3
Heavy Atoms 43
NP-Likeness -0.89

Literature References

PubMed DOI Target Context # Activities
29035537 10.1021/acs.jmedchem.7b00900 Cholesteryl ester transfer protein 1

Data from ChEMBL 36 via Core Engine