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Compound Detail

CHEMBL4466965

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O=C1c2cc(-c3ccnc(Nc4ccc(F)cc4)n3)ccc2CN1Cc1cccc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4466965
Phase Preclinical
Structure Type MOL
InChI Key AOTIOPOWGWCJIM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

444.9
MW (Da)
5.84
ALogP
4
HBA
1
HBD
58.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H18ClFN4O
MW 444.90
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.53

Literature References

PubMed DOI Target Context # Activities
30605831 10.1016/j.ejmech.2018.12.040 Mitogen-activated protein kinase 1 1

Data from ChEMBL 36 via Core Engine