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Compound Detail

CHEMBL5204160

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OCCCC(CCCO)(CCCO)NC[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5204160
Phase Preclinical
Structure Type MOL
InChI Key OMXYMAALJHABFW-SFHVURJKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

512.5
MW (Da)
3.95
ALogP
6
HBA
5
HBD
105.8
PSA (Ų)
0.26
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30F6N2O4
MW 512.49
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.11

Literature References

PubMed DOI Target Context # Activities
34782182 10.1016/j.ejmech.2021.113981 Plasmodium falciparum 2
34782182 10.1016/j.ejmech.2021.113981 Unchecked 1

Data from ChEMBL 36 via Core Engine