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Compound Detail

CHEMBL5171987

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O[C@H](CN1CCNCC1)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5171987
Phase Preclinical
Structure Type MOL
InChI Key JELODAOOBUDZIF-CYBMUJFWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

393.3
MW (Da)
3.21
ALogP
4
HBA
2
HBD
48.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17F6N3O
MW 393.33
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.86

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