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Compound Detail

CHEMBL4759596

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CNc1nc2ccc(C(F)(F)F)cc2n2c(-c3ccc(OC)c(OC)c3)cnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4759596
Phase Preclinical
Structure Type MOL
InChI Key PITVXJYRPZHTJT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.4
MW (Da)
4.63
ALogP
6
HBA
1
HBD
60.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17F3N4O2
MW 402.38
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
33309473 10.1016/j.ejmech.2020.113031 A-375 1

Data from ChEMBL 36 via Core Engine