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Compound Detail

CHEMBL5201301

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

Basic Information

ChEMBL ID CHEMBL5201301
Phase Preclinical
Structure Type MOL
InChI Key KXIZEBWDSJAVFQ-NSHDSACASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

367.3
MW (Da)
2.85
ALogP
4
HBA
3
HBD
71.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15F6N3O
MW 367.29
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.58

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