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Compound Detail

CHEMBL565513

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C[C@@H]1CC[C@H]2[C@@H](CCCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL565513
Phase Preclinical
Structure Type MOL
InChI Key RJGALAVALLVPKP-FCVNTBDSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

522.5
MW (Da)
6.44
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.26
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28F6O5
MW 522.48
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness 1.88

Literature References

PubMed DOI Target Context # Activities
19497754 10.1016/j.bmc.2009.05.026 ADMET 3
33508479 10.1016/j.ejmech.2021.113193 Plasmodium falciparum 3

Data from ChEMBL 36 via Core Engine