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Compound Detail

CHEMBL5191501

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

Basic Information

ChEMBL ID CHEMBL5191501
Phase Preclinical
Structure Type MOL
InChI Key VAZHAININDSLSH-INIZCTEOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

422.4
MW (Da)
5.87
ALogP
3
HBA
2
HBD
45.1
PSA (Ų)
0.39
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24F6N2O
MW 422.41
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
34782182 10.1016/j.ejmech.2021.113981 ADMET 2
34782182 10.1016/j.ejmech.2021.113981 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine