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Compound Detail

CHEMBL5180639

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O[C@@H](CN1CCN(Cc2cccc3ccccc23)CC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5180639
Phase Preclinical
Structure Type MOL
InChI Key LOKPYCKHHKCLGE-DEOSSOPVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

533.5
MW (Da)
6.28
ALogP
4
HBA
1
HBD
39.6
PSA (Ų)
0.31
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H25F6N3O
MW 533.52
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.91

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